CAS No.: 1929-77-7 — Vernolate (Propyl-N-Di-N-Propylthiolcarbamate)

1. Primary Information

English name:	Vernolate
CAS No.:	1929-77-7
Molecular formula:	C₁₀H₂₁NOS
Molecular weight:	203.35 g/mol
SMILES:	CCCN(CCC)C(=O)SCCC
Structural class:
Other identifiers:	S,N,N'-tripropylthiocarbamate Vernam

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	RT	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	248	RT	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	80	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 34 33 0 0 0 0 0 0 0999 V2000 -1.5186 -0.5010 -0.3263 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4328 1.6404 0.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 0.0142 0.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -1.3039 -0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2972 0.7427 0.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 -2.4108 0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 1.6169 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1886 0.5381 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6537 -3.7823 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 2.3644 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 0.5480 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -0.1688 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4496 0.7021 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3367 -1.2710 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -1.5302 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0474 0.0325 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0222 1.3824 1.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 -2.1941 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -2.4463 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0982 1.0016 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1083 2.3420 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -3.7983 -0.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 -4.5444 0.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -4.0540 -0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9131 1.6654 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 2.9792 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9166 3.0226 0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 1.4787 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9398 0.7997 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2532 -0.4266 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -1.1044 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4171 1.6345 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3723 0.1747 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4927 0.9536 1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 10 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

S-propyl N,N-dipropylcarbamothioate

4.2 InChI

InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3

4.3 InChIKey

OKUGPJPKMAEJOE-UHFFFAOYSA-N

4.4 Canonical SMILES

CCCN(CCC)C(=O)SCCC

4.5 Isomeric SMILES

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)