Methyldithiocarbazate

HCID 3034069CAS 5397-03-5

Substructure search Find similar structures

Basic information

Standard SMILES: CSC(=S)NN
InChIKey: ILAXBOIRSPXAMM-UHFFFAOYSA-N
Molecular formula: C2H6N2S2
Average molar mass: 122.22 g/mol
Monoisotopic mass: 121.99724019

Overview

structure

Names & identifiers

Preferred name: Methyldithiocarbazate
IUPAC: methyl N-aminocarbamodithioate
English name: methyldithiocarbazate
Molecular formula: C2H6N2S2
Molecular weight: 122.21

Names & synonyms

5397-03-5MethyldithiocarbazateMethyl dithiocarbazateS-Methyl dithiocarbazateDithiocarbazic acid methyl esterCarbazic acid, dithio-, methyl esterNSC-4423R2L2YRR7MPAI3-22502RefChem:158180Methyl hydrazinecarbodithioatemethyl N-aminocarbamodithioate

Show more names

hydrazineyldithiomethyl formate1-[(Methylthio)(mercapto)methylene]hydrazineHydrazine-1-dithiocarboxylic acid methyl ester

{[(methylsulfanyl)methanethioyl]amino}amineHydrazinecarbodithioic acid, methyl esterMFCD00463356hydrazinecarbodithioic acid methyl esterHydrazine-S-methylcarbodithioateNSC4423([(Methylsulfanyl)methanethioyl]amino)amineMercapto(methylthio)methanonehydrazone

Database identifiers

CAS: 5397-03-5
PubChem CID: 3034069
DTXSID: DTXSID3063835
UNII: R2L2YRR7MP
EC Number: 812-150-1
Nikkaji: J108.712F

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 95.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 53.5

Physicochemical properties

Melting point: 79 °C · 79 °C(Solv: benzene (71-43-2))
Boiling point: 207.3 · 207.3±23.0 °C(Predicted)
Density: 1.314 · 1.314±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 9.15 · 9.15±0.70(Predicted)
form: solid
color: White
InChI: InChI=1S/C2H6N2S2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKey: ILAXBOIRSPXAMM-UHFFFAOYSA-N
SMILES: N(C(=S)SC)N
FDA UNII: 2 L2YRR7MP · R2L2YRR7MP
EPA Substance Registry System: Hydrazinecarbodithioic acid, methyl ester (5397-03-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P304+P340
TSCA: TSCA listed
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.