CAS No.: 35013-72-0 — NHS-Biotin (N-羟基琥珀酰亚胺生物素)

1. Primary Information

English name:	NHS-Biotin
CAS No.:	35013-72-0
Molecular formula:	C₁₄H₁₉N₃O₅S
Molecular weight:	341.38 g/mol
SMILES:	C1CC(=O)N(C1=O)OC(=O)CCCCC2C3C(CS2)NC(=O)N3
Structural class:
Other identifiers:	biotinyl N-hydroxysuccinimide ester N-hydroxysuccinimido biotin N-hydroxysuccinimidobiotin NHS-biotin

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	BR，98%	40	-20℃	in stock	-
Kehua Intelligence	100mg	BR，98%	60	-20℃	in stock	-
Kehua Intelligence	1g	BR，98%	240	-20℃	in stock	-
Kehua Intelligence	5g	BR，98%	800	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 42 44 0 1 0 0 0 0 0999 V2000 -4.6387 -1.2303 -0.6664 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 2.9561 -1.1592 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5733 -0.8690 -0.6669 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5095 -1.3970 1.5805 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 1.5515 -0.2066 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3492 -0.2266 -0.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 0.8324 -0.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 1.9777 0.3193 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 0.3752 -0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -0.0245 0.7298 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0654 0.7273 1.0413 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0659 -1.4304 0.2109 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2766 -0.0706 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -2.0623 -0.6671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 -2.2354 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 2.0314 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -2.8311 -0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -2.9850 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -1.6725 0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2086 2.5740 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.9838 0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 1.4587 -0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4405 0.5666 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1096 -0.0715 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 0.9749 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 -2.0877 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0703 0.5540 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -0.6564 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -1.4662 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -3.0492 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1644 0.6373 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 2.7349 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3385 -1.2709 0.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8369 -2.8907 0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5297 -2.1952 -1.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0796 -3.8156 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -3.6529 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 -3.4469 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 3.4254 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 2.8844 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0759 1.9877 1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2618 2.5291 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 16 2 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 19 2 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 32 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2,5-dioxopyrrolidin-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate

4.2 InChI

InChI=1S/C14H19N3O5S/c18-10-5-6-11(19)17(10)22-12(20)4-2-1-3-9-13-8(7-23-9)15-14(21)16-13/h8-9,13H,1-7H2,(H2,15,16,21)/t8-,9-,13-/m0/s1

4.3 InChIKey

YMXHPSHLTSZXKH-RVBZMBCESA-N

4.4 Canonical SMILES

C1CC(=O)N(C1=O)OC(=O)CCCCC2C3C(CS2)NC(=O)N3

4.5 Isomeric SMILES

C1CC(=O)N(C1=O)OC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)