1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol

C9H13ClOS2 — CID 107359197

IUPAC1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)c1sccc1Cl
InChIInChI=1S/C9H13ClOS2/c1-2-12-5-4-8(11)9-7(10)3-6-13-9/h3,6,8,11H,2,4-5H2,1H3
InChIKeyARGSXCVNFBVPEQ-UHFFFAOYSA-N
MW236.79 g/mol
LogP3.58
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol

1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol (PubChem CID 107359197) has the molecular formula C9H13ClOS2 and a molecular weight of 236.79 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
PubChem CID107359197
Molecular FormulaC9H13ClOS2
Molecular Weight236.79 g/mol
Exact Mass236.01
IUPAC Name1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
SMILESCCSCCC(O)c1sccc1Cl
InChIInChI=1S/C9H13ClOS2/c1-2-12-5-4-8(11)9-7(10)3-6-13-9/h3,6,8,11H,2,4-5H2,1H3
InChIKeyARGSXCVNFBVPEQ-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.79
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorothiophen-2-yl)hexan-1-ol
CID 80530393
1-(3-chlorothiophen-2-yl)tridecan-1-ol
CID 115789521
3-amino-1-(3-chlorothiophen-2-yl)propan-1-ol
CID 80641547
3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 116504809
1-(3-chlorothiophen-2-yl)-3,3-difluorobutan-1-ol
CID 131081703
1-(3-chlorothiophen-2-yl)-N-ethyl-2-ethylsulfanylethanamine
CID 107359766
1-(3-chlorothiophen-2-yl)-3-pyridin-4-ylpropan-1-ol
CID 107361951
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
N-[1-(3-chlorothiophen-2-yl)-2-ethylsulfanylethyl]propan-1-amine
CID 107359767
1-(3-chlorothiophen-2-yl)-2,2-dimethylbutan-1-ol
CID 80530613
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol (CID 107359197) is 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol is CCSCCC(O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol?
The InChIKey is ARGSXCVNFBVPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClOS2/c1-2-12-5-4-8(11)9-7(10)3-6-13-9/h3,6,8,11H,2,4-5H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol?
1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol has a molecular weight of 236.79 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol is sourced from PubChem (CID 107359197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).