(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol

C9H11ClOS2 — CID 131186478

IUPAC(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
SMILESOC(c1ccsc1Cl)C1CCSC1
InChIInChI=1S/C9H11ClOS2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8,11H,1,3,5H2
InChIKeyOQPBHXLGFZGCJS-UHFFFAOYSA-N
MW234.77 g/mol
LogP3.19
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol

(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol (PubChem CID 131186478) has the molecular formula C9H11ClOS2 and a molecular weight of 234.77 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
PubChem CID131186478
Molecular FormulaC9H11ClOS2
Molecular Weight234.77 g/mol
Exact Mass233.99
IUPAC Name(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol
SMILESOC(c1ccsc1Cl)C1CCSC1
InChIInChI=1S/C9H11ClOS2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8,11H,1,3,5H2
InChIKeyOQPBHXLGFZGCJS-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[hydroxy(thiolan-3-yl)methyl]phenol
CID 115027036
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[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(thiolan-3-yl)methanol
CID 106971988
thiolan-3-yl-(2,4,5-trimethylphenyl)methanol
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(2-methoxyphenyl)-(thiolan-3-yl)methanol
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(2-amino-3-fluorophenyl)-(thiolan-3-yl)methanol
CID 105484688
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043
(4-chloro-3-methoxyphenyl)-(thiolan-3-yl)methanol
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isoquinolin-5-yl(thiolan-3-yl)methanol
CID 105094590
3-(2-chlorothiophen-3-yl)butan-2-ol
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(3-methylcyclopentyl)-(2-methylthiophen-3-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol (CID 131186478) is (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol is OC(c1ccsc1Cl)C1CCSC1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol?
The InChIKey is OQPBHXLGFZGCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS2/c10-9-7(2-4-13-9)8(11)6-1-3-12-5-6/h2,4,6,8,11H,1,3,5H2.
What are the key properties of (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol?
(2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol has a molecular weight of 234.77 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(thiolan-3-yl)methanol is sourced from PubChem (CID 131186478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).