CAS No.: 367-93-1 — Isopropyl-beta-D-thiogalactopyranoside (异丙基-β-D-硫代半乳糖苷)

1. Primary Information

English name:	Isopropyl-beta-D-thiogalactopyranoside
CAS No.:	367-93-1
Molecular formula:	C₉H₁₈O₅S
Molecular weight:	238.30 g/mol
SMILES:	CC(C)SC1C(C(C(C(O1)CO)O)O)O
Structural class:
Other identifiers:	1-Thio-beta-D-galactopyranoside, Isopropyl IPTG Isopropyl 1 Thio beta D galactopyranoside Isopropyl 1-Thio-beta-D-galactopyranoside Isopropyl Thiogalactoside

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	500mg	HPLC≥98%	384	2-8℃	in stock	-
Kehua Intelligence	1g	超纯，99%	24	2-8℃	in stock	-
Kehua Intelligence	5g	超纯，99%	72	2-8℃	in stock	-
Kehua Intelligence	25g	超纯，99%	288	2-8℃	in stock	-
Kehua Intelligence	100g	超纯，99%	960	2-8℃	in stock	-
Kehua Intelligence	500g	超纯，99%	3840	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 33 0 1 0 0 0 0 0999 V2000 1.8846 -1.2925 0.7179 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.7016 0.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1986 -1.6858 -0.0813 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 0.6249 1.2955 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5846 -2.8298 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2131 3.3894 -0.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 -0.9356 -0.5015 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2269 0.5318 -0.1066 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8008 -1.5416 0.1237 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9427 1.3020 -0.4286 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4135 -0.6454 -0.1563 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0128 2.7588 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0655 -0.0384 0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 -0.3124 0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -0.0271 -1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0116 -1.0188 -1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0873 0.9718 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9645 -1.6768 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 1.2708 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -0.6823 -1.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 2.8527 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 3.2893 -0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 0.9441 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -2.6123 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 0.0938 1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2308 -3.1880 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 0.4615 0.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3752 -0.3067 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8367 -1.2778 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2705 0.4423 -1.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -1.0297 -1.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 0.5730 -1.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9238 2.8999 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-ylsulfanyloxane-3,4,5-triol

4.2 InChI

InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1

4.3 InChIKey

BPHPUYQFMNQIOC-NXRLNHOXSA-N

4.4 Canonical SMILES

CC(C)SC1C(C(C(C(O1)CO)O)O)O

4.5 Isomeric SMILES

CC(C)S[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O

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)