Carbamic acid, thiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester

HCID 39755

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Basic information

CAS: 50673-14-8
Standard SMILES: CC1(C)Cc2cccc(OC(=O)NCSCNC(=O)Oc3cccc4c3OC(C)(C)C4)c2O1
InChIKey: NMHDZAYVVVOBLA-UHFFFAOYSA-N
Molecular formula: C24H28N2O6S
Average molar mass: 472.6 g/mol
Monoisotopic mass: 472.16680779

Names & identifiers

Preferred name: Carbamic acid, thiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) ester
IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonylamino]methylsulfanylmethyl]carbamate

Names & synonyms

Biscarbofuran N,N'-sulfideCarbamic acid, thiobis(methyl-, bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) esterDTXSID60198715Thiobis(methylcarbamic acid) bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) esterRefChem:332745DTXCID2012120650673-14-8Biscarbofuran sulfideBis(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl) [sulfanediylbis(methylene)]biscarbamate

Database identifiers

CAS: 50673-14-8
PubChem CID: 39755
DTXSID: DTXSID60198715

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 120 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 33
Formal charge: 0
Complexity: 659

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