4-(5-chlorothiophen-2-yl)butane-1,2-diol

C8H11ClO2S — CID 83934930

IUPAC4-(5-chlorothiophen-2-yl)butane-1,2-diol
SMILESOCC(O)CCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClO2S/c9-8-4-3-7(12-8)2-1-6(11)5-10/h3-4,6,10-11H,1-2,5H2
InChIKeyCJYGCWWRQBNXJQ-UHFFFAOYSA-N
MW206.69 g/mol
LogP1.69
Rot. Bonds4

About 4-(5-chlorothiophen-2-yl)butane-1,2-diol

4-(5-chlorothiophen-2-yl)butane-1,2-diol (PubChem CID 83934930) has the molecular formula C8H11ClO2S and a molecular weight of 206.69 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)butane-1,2-diol
PubChem CID83934930
Molecular FormulaC8H11ClO2S
Molecular Weight206.69 g/mol
Exact Mass206.02
IUPAC Name4-(5-chlorothiophen-2-yl)butane-1,2-diol
SMILESOCC(O)CCc1ccc(Cl)s1
InChIInChI=1S/C8H11ClO2S/c9-8-4-3-7(12-8)2-1-6(11)5-10/h3-4,6,10-11H,1-2,5H2
InChIKeyCJYGCWWRQBNXJQ-UHFFFAOYSA-N
XLogP1.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.69
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-(5-chlorothiophen-2-yl)butan-2-ol
CID 12895737
4-(5-chlorothiophen-2-yl)-2-methylbutan-1-ol
CID 64665033
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
(2R)-2-[4-(5-chlorothiophen-2-yl)butan-2-ylamino]propan-1-ol
CID 103778502
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
2-chloro-5-(4-chloro-3-methylbutyl)thiophene
CID 64665256
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
2-(5-chlorothiophen-2-yl)ethanethiol
CID 55275169
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)butane-1,2-diol?
The IUPAC name of 4-(5-chlorothiophen-2-yl)butane-1,2-diol (CID 83934930) is 4-(5-chlorothiophen-2-yl)butane-1,2-diol.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)butane-1,2-diol?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)butane-1,2-diol is OCC(O)CCc1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)butane-1,2-diol?
The InChIKey is CJYGCWWRQBNXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO2S/c9-8-4-3-7(12-8)2-1-6(11)5-10/h3-4,6,10-11H,1-2,5H2.
What are the key properties of 4-(5-chlorothiophen-2-yl)butane-1,2-diol?
4-(5-chlorothiophen-2-yl)butane-1,2-diol has a molecular weight of 206.69 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)butane-1,2-diol is sourced from PubChem (CID 83934930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).