Benzyl dimethyldithiocarbamate
Basic information
- CAS
7250-18-2- Standard SMILES
CN(C)C(=S)SCc1ccccc1- InChIKey
HLZBIKHKXIJIHX-UHFFFAOYSA-N- Molecular formula
- C10H13NS2
- Average molar mass
- 211.4 g/mol
- Monoisotopic mass
- 211.04894177
Names & identifiers
- Preferred name
- Benzyl dimethyldithiocarbamate
- IUPAC
- benzyl N,N-dimethylcarbamodithioate
- English name
- Benzyl N,N-dimethyldithiocarbamate
- Molecular formula
- C10H13NS2
- Molecular weight
- 211.35
Names & synonyms
7250-18-2Benzyl dimethyldithiocarbamateBENZYL N,N-DIMETHYLDITHIOCARBAMATE24J8NV9CQQPHENYLMETHYL N,N-DIMETHYLCARBAMODITHIOATEEINECS 230-659-1NSC-24913DTXSID80222809NSC 24913Carbamodithioic acid, N,N-dimethyl-, phenylmethyl esterN,N-DIMETHYL-S-BENZYLDITHIOCARBAMATECarbamodithioic acid, dimethyl-, phenylmethyl ester
Show more names
Nsc24913Dimethyldithiocarbamic acid benzyl esterDimethyldithiocarbamic acid phenylmethyl ester
CARBAMIC ACID, DIMETHYLDITHIO-, BENZYL ESTERRefChem:118866DTXCID60145300230-659-1Benzyl-N,N-dimethyldithiocarbamatebenzyl dimethylcarbamodithioatebenzyl N,N-dimethylcarbamodithioateN,N-dimethyl(benzylsulfanyl)carbothioamide
Database identifiers
- CAS
7250-18-2- PubChem CID
- 81664
- DTXSID
DTXSID80222809- ChEMBL
CHEMBL1970672- UNII
- 24J8NV9CQQ
- EC Number
- 230-659-1
- Nikkaji
- J212.261H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 39 · 39-41 °C(lit.)
- Boiling point
- 220 °C · 220 °C(Press: 20 Torr)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- pka
- 0.93 · 0.93±0.50(Predicted)
- FDA UNII
- 24 J8NV9CQQ · 24J8NV9CQQ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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