(3R)-3-phenylthian-3-ol

C11H14OS — CID 124510207

IUPAC(3R)-3-phenylthian-3-ol
SMILESO[C@@]1(c2ccccc2)CCCSC1
InChIInChI=1S/C11H14OS/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/t11-/m0/s1
InChIKeyDGJVSQKTMWQMPE-NSHDSACASA-N
MW194.30 g/mol
LogP2.40
Rot. Bonds1

About (3R)-3-phenylthian-3-ol

(3R)-3-phenylthian-3-ol (PubChem CID 124510207) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is (3R)-3-phenylthian-3-ol.

Molecular Properties

Compound Name(3R)-3-phenylthian-3-ol
PubChem CID124510207
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name(3R)-3-phenylthian-3-ol
SMILESO[C@@]1(c2ccccc2)CCCSC1
InChIInChI=1S/C11H14OS/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/t11-/m0/s1
InChIKeyDGJVSQKTMWQMPE-NSHDSACASA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenylthian-3-ol?
The IUPAC name of (3R)-3-phenylthian-3-ol (CID 124510207) is (3R)-3-phenylthian-3-ol.
What is the SMILES notation for (3R)-3-phenylthian-3-ol?
The canonical SMILES for (3R)-3-phenylthian-3-ol is O[C@@]1(c2ccccc2)CCCSC1.
What is the InChIKey of (3R)-3-phenylthian-3-ol?
The InChIKey is DGJVSQKTMWQMPE-NSHDSACASA-N. The full InChI is InChI=1S/C11H14OS/c12-11(7-4-8-13-9-11)10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9H2/t11-/m0/s1.
What are the key properties of (3R)-3-phenylthian-3-ol?
(3R)-3-phenylthian-3-ol has a molecular weight of 194.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenylthian-3-ol is sourced from PubChem (CID 124510207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).