CAS No.: 137-26-8 — Thiram (甲醇中福美双)

1. Primary Information

English name:	Thiram
CAS No.:	137-26-8
Molecular formula:	C₆H₁₂N₂S₄
Molecular weight:	240.4 g/mol
SMILES:	CN(C)C(=S)SSC(=S)N(C)C
Structural class:
Other identifiers:	Bacteriostat Disulfide, Tetramethylthiuram Disulfide, TMT Nobecutan Sadoplon 75

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	64	-20℃，避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	198	-20℃，避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 24 23 0 0 0 0 0 0 0999 V2000 -0.5071 0.9486 1.1443 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 1.0768 -0.6826 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8943 -1.6303 1.6783 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -1.7689 -1.0998 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 0.1903 -0.2192 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8965 0.1259 -0.0166 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4626 -0.7492 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0155 1.5958 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9886 -0.8409 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2509 1.4760 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -0.1963 0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -0.2279 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -1.7699 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -0.4538 -2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5226 -0.7109 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 2.2660 0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0977 1.7172 -0.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5265 1.8669 -1.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 -1.8735 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3841 -0.7752 1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 -0.5744 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3294 1.6307 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 1.5692 1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7487 2.2514 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

4.2 InChI

InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3

4.3 InChIKey

KUAZQDVKQLNFPE-UHFFFAOYSA-N

4.4 Canonical SMILES

CN(C)C(=S)SSC(=S)N(C)C

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)