4-[(1,3-Dithian-2-ylidene)(phenyl)methyl]phenol

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Basic information

CAS: 89863-89-8
Standard SMILES: Oc1ccc(C(=C2SCCCS2)c2ccccc2)cc1
InChIKey: UVFLVHIYBQVSRP-UHFFFAOYSA-N
Molecular formula: C17H16OS2
Average molar mass: 300.4 g/mol
Monoisotopic mass: 300.06425748

Names & identifiers

Preferred name: 4-[(1,3-Dithian-2-ylidene)(phenyl)methyl]phenol
IUPAC: 4-[1,3-dithian-2-ylidene(phenyl)methyl]phenol

Names & synonyms

89863-89-84-[(1,3-Dithian-2-ylidene)(phenyl)methyl]phenolSCHEMBL10367870DTXSID10535737UVFLVHIYBQVSRP-UHFFFAOYSA-N(1,3-dithian-2-ylidene)-(4-hydroxyphenyl)-phenylmethane

Database identifiers

CAS: 89863-89-8
PubChem CID: 13302004
DTXSID: DTXSID10535737

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 20
Formal charge: 0
Complexity: 331

Related reactions

4 records

New reaction record

HRID 620073As productuspto-grants-1989_04

HRID 620074As reactantuspto-grants-1989_04

HRID 807964As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1709007As productuspto-grants-1990_08

Compound notes

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