1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol

C8H11ClOS2 — CID 62691720

IUPAC1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS2/c1-11-5-6(10)4-7-2-3-8(9)12-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKFZFCLWXRDZTST-UHFFFAOYSA-N
MW222.76 g/mol
LogP2.67
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol

1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol (PubChem CID 62691720) has the molecular formula C8H11ClOS2 and a molecular weight of 222.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
PubChem CID62691720
Molecular FormulaC8H11ClOS2
Molecular Weight222.76 g/mol
Exact Mass221.99
IUPAC Name1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
SMILESCSCC(O)Cc1ccc(Cl)s1
InChIInChI=1S/C8H11ClOS2/c1-11-5-6(10)4-7-2-3-8(9)12-7/h2-3,6,10H,4-5H2,1H3
InChIKeyKFZFCLWXRDZTST-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065578
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
2-chloro-5-(2-methylsulfanylbutyl)thiophene
CID 54222118
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
CID 55118276
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol (CID 62691720) is 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol is CSCC(O)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol?
The InChIKey is KFZFCLWXRDZTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClOS2/c1-11-5-6(10)4-7-2-3-8(9)12-7/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol?
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol has a molecular weight of 222.76 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 62691720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).