3,3-Dichloro-4-[di(propan-2-yl)amino]-4,5,7,8-tetrahydrothiopyrano[4,3-b]pyran-2-one

HCID 328032

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Basic information

CAS: 67046-33-7
Standard SMILES: CC(C)N(C(C)C)C1C2=C(CCSC2)OC(=O)C1(Cl)Cl
InChIKey: PZNXDYLWBFHKQV-UHFFFAOYSA-N
Molecular formula: C14H21Cl2NO2S
Average molar mass: 338.3 g/mol
Monoisotopic mass: 337.0670055

Names & identifiers

Preferred name: 3,3-Dichloro-4-[di(propan-2-yl)amino]-4,5,7,8-tetrahydrothiopyrano[4,3-b]pyran-2-one
IUPAC: 3,3-dichloro-4-[di(propan-2-yl)amino]-4,5,7,8-tetrahydrothiopyrano[4,3-b]pyran-2-one

Names & synonyms

67046-33-7NSC3053553,3-dichloro-4-[di(propan-2-yl)amino]-4,5,7,8-tetrahydrothiopyrano[4,3-b]pyran-2-oneDTXSID00316638NSC-3053553,3-Dichloro-4-[di(propan-2-yl)amino]-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-b]pyran-2-one

Database identifiers

CAS: 67046-33-7
PubChem CID: 328032
DTXSID: DTXSID00316638

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 54.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 427

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