Hydrazinecarbodithioic acid, (1-methylpropylidene)-, phenylmethyl ester
Basic information
- CAS
26155-74-8- Standard SMILES
CCC(C)=NNC(=S)SCc1ccccc1- InChIKey
KSZCDUZOOIKVFB-UHFFFAOYSA-N- Molecular formula
- C12H16N2S2
- Average molar mass
- 252.4 g/mol
- Monoisotopic mass
- 252.07549087
Names & identifiers
- Preferred name
- Hydrazinecarbodithioic acid, (1-methylpropylidene)-, phenylmethyl ester
- IUPAC
- benzyl N-(butan-2-ylideneamino)carbamodithioate
Names & synonyms
26155-74-8Hydrazinecarbodithioic acid, (1-methylpropylidene)-, phenylmethyl esterDTXSID90393832Benzyl 2-(butan-2-ylidene)hydrazine-1-carbodithioate
Database identifiers
- CAS
26155-74-8- PubChem CID
- 3579822
- DTXSID
DTXSID90393832
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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