Basic information
- CAS
64057-87-0- Standard SMILES
COC(=O)CSC(=S)N(C)Cc1ccccc1- InChIKey
WALPFCHWMYDJPG-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.05442107
Names & identifiers
- Preferred name
- Carbomethoxymethyl benzylmethyl dithiocarbamate
- IUPAC
- methyl 2-[benzyl(methyl)carbamothioyl]sulfanylacetate
- English name
- [[[Methyl(phenylmethyl)amino]thioxomethyl]thio]acetic acid methyl ester
- Molecular formula
- C12H15NO2S2
- Molecular weight
- 269.38
Names & synonyms
Carbomethoxymethyl benzylmethyl dithiocarbamate64057-87-0DTXSID90214215RefChem:1081196DTXCID90136706USAF T-11ACETIC ACID, (((METHYL(PHENYLMETHYL)AMINO)THIOXOMETHYL)THIO)-, METHYL ESTERNSC85745[[[Methyl(phenylmethyl)amino]thioxomethyl]thio]acetic acid methyl esterNSC 85745NSC-85745DB-290359
Show more names
Acetic acid, 2-[[[methyl(phenylmethyl)amino]thioxomethyl]thio]-, methyl ester
Methyl {[benzyl(methyl)carbamothioyl]sulfanyl}acetate
Database identifiers
- CAS
64057-87-0- PubChem CID
- 47087
- DTXSID
DTXSID90214215- Nikkaji
- J86.250I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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