4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol

C9H11ClOS2 — CID 83190039

IUPAC4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccc(Cl)s1
InChIInChI=1S/C9H11ClOS2/c10-9-2-1-7(13-9)3-6-4-12-5-8(6)11/h1-2,6,8,11H,3-5H2
InChIKeyKSWYANKYDHBXCZ-UHFFFAOYSA-N
MW234.77 g/mol
LogP2.67
Rot. Bonds2

About 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol

4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol (PubChem CID 83190039) has the molecular formula C9H11ClOS2 and a molecular weight of 234.77 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol
PubChem CID83190039
Molecular FormulaC9H11ClOS2
Molecular Weight234.77 g/mol
Exact Mass233.99
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol
SMILESOC1CSCC1Cc1ccc(Cl)s1
InChIInChI=1S/C9H11ClOS2/c10-9-2-1-7(13-9)3-6-4-12-5-8(6)11/h1-2,6,8,11H,3-5H2
InChIKeyKSWYANKYDHBXCZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-chlorothiophen-2-yl)methyl]cyclopentyl]methanamine
CID 81010342
[2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81009812
2-[(5-chlorothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 81008089
4-(furan-3-ylmethyl)thiolan-3-ol
CID 83190401
4-[(4-chloro-3-fluorophenyl)methyl]thiolan-3-ol
CID 107885968
4-[(4-iodophenyl)methyl]thiolan-3-ol
CID 83190503
5-[(5-chlorothiophen-2-yl)methyl]thiolan-3-one
CID 150562127
4-[(4-tert-butylphenyl)methyl]thiolan-3-ol
CID 83190158
2-[(5-chlorothiophen-2-yl)methyl]-4-phenylcyclohexan-1-amine
CID 63401279
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011481
1-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 54132568
2-(5-chlorothiophen-2-yl)-1-(1,4-dithian-2-yl)ethanone
CID 79971128

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol (CID 83190039) is 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol is OC1CSCC1Cc1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol?
The InChIKey is KSWYANKYDHBXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS2/c10-9-2-1-7(13-9)3-6-4-12-5-8(6)11/h1-2,6,8,11H,3-5H2.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol?
4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol has a molecular weight of 234.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]thiolan-3-ol is sourced from PubChem (CID 83190039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).