furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate

HCID 5126331

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Basic information

CAS: 21878-60-4
Standard SMILES: S=C(Nc1ccc(Cl)c(Cl)c1)SCc1ccco1
InChIKey: XXLUBCUGRXXRME-UHFFFAOYSA-N
Molecular formula: C12H9Cl2NOS2
Average molar mass: 318.2 g/mol
Monoisotopic mass: 316.9502616

Names & identifiers

Preferred name: furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
IUPAC: furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate

Names & synonyms

21878-60-4furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioateNSC225365DTXSID50408572NSC-225365(Furan-2-yl)methyl (3,4-dichlorophenyl)carbamodithioate

Database identifiers

CAS: 21878-60-4
PubChem CID: 5126331
DTXSID: DTXSID50408572

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 293

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