Benzenesulfonamide, 4-butoxy-2-methyl-N-((methylamino)thioxomethyl)-

HCID 3052136

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Basic information

CAS: 68499-43-4
Standard SMILES: CCCCOc1ccc(S(=O)(=O)NC(=S)NC)c(C)c1
InChIKey: KRNVMUZLNHZWON-UHFFFAOYSA-N
Molecular formula: C13H20N2O3S2
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.09153485

Names & identifiers

Preferred name: Benzenesulfonamide, 4-butoxy-2-methyl-N-((methylamino)thioxomethyl)-
IUPAC: 1-(4-butoxy-2-methylphenyl)sulfonyl-3-methylthiourea

Names & synonyms

Benzenesulfonamide, 4-butoxy-2-methyl-N-((methylamino)thioxomethyl)-68499-43-4BRN 28766954-Butoxy-2-methyl-N-((methylamino)thioxomethyl)benzenesulfonamideCHEMBL3245782DTXSID302186114-Butoxy-2-methyl-N-(methylcarbamothioyl)benzene-1-sulfonamide

Database identifiers

CAS: 68499-43-4
PubChem CID: 3052136
DTXSID: DTXSID30218611
ChEMBL: CHEMBL3245782

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 108 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 20
Formal charge: 0
Complexity: 406

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