alpha,2,2-Trimethyl-1,3-benzodithiol-5-methanol

HCID 19935490
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Basic information

Standard SMILES
CC(O)c1ccc2c(c1)SC(C)(C)S2
InChIKey
WPOGOSLJTSMHJD-UHFFFAOYSA-N
Molecular formula
C11H14OS2
Average molar mass
226.4 g/mol

Names & identifiers

Preferred name
alpha,2,2-Trimethyl-1,3-benzodithiol-5-methanol
IUPAC
1-(2,2-dimethyl-1,3-benzodithiol-5-yl)ethanol

Names & synonyms

SCHEMBL9144509WPOGOSLJTSMHJD-UHFFFAOYSA-Nalpha,2,2-trimethyl-1,3-benzodithiol-5-methanol

Database identifiers

PubChem CID
19935490

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
70.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
14

Related reactions

8 records
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Compound notes

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