[bis(methylsulfanyl)methylidene](cyano)amine

• ChemBase ID: 85656
• Molecular Formular: C4H6N2S2
• Molecular Mass: 146.23384
• Monoisotopic Mass: 145.9972402
• SMILES: N(=C(SC)SC)C#N
• Canonical SMILES: CSC(=NC#N)SC
• InChI: InChI=1S/C4H6N2S2/c1-7-4(8-2)6-3-5/h1-2H3
• InChIKey: IULFXBLVJIPESI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(methylsulfanyl)methylidene](cyano)amine
• IUPAC Traditional name: [bis(methylsulfanyl)methylidene](cyano)amine
• Synonyms: Dimethyl N-cyanodithioiminocarbonate; Dimethyl cyanodithioiminocarbonate; {[Bis(methylthio)methylene]amino}(nitrilo)methane; Dimethyl N-cyanocarbonodithioimidate; {[bis(methylthio)methylene]amino}(nitrilo)methane; N-氰亚胺基-S,S-二硫代碳酸二甲酯; 氰基二硫代亚氨基碳酸二甲酯, 95%,

Database IDs

• CAS Number: 10191-60-3
• EC Number: 233-467-6
• MDL Number: MFCD00009825
• Beilstein Number: 635998
• PubChem SID: 24855008; 162072772
• PubChem CID: 66289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2679527
• LogD (pH = 7.4): 2.2679527
• Log P: 2.2679527
• Molar Refractivity: 39.5405 cm^3
• Polarizability: 14.863323 Å^3
• Polar Surface Area: 36.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 45-50 °C; 45-50 °C(lit.); 45-50°C; 50-56°C
• Flash Point: >110°C(230°F); >113 °C; >113°C; >235.4 °F

Safety Information

• Storage Warning: Corrosive/Harmful/Lachrymatory/Keep Cold
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 1759; UN2928
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Risk Statements: 22-34; 23/24/25-34-43
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H317-H314-H318; H302-H314
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: ≥90% (S); 90%; 95%; 97%
• Grade: technical
• Linear Formula: (CH3S)2C=NCN

DETAILS

Sigma Aldrich - 249637

Application
Intermediate for the synthesis of cyanoguanidines
Other Notes
Remainder water
Packaging
50, 250 g in glass bottle

Sigma Aldrich - 39912

Other Notes
Building block for preparing heterocyclic compounds1