bis(3-chlorothiophen-2-yl)methanol

C9H6Cl2OS2 — CID 80642135

IUPACbis(3-chlorothiophen-2-yl)methanol
SMILESOC(c1sccc1Cl)c1sccc1Cl
InChIInChI=1S/C9H6Cl2OS2/c10-5-1-3-13-8(5)7(12)9-6(11)2-4-14-9/h1-4,7,12H
InChIKeyAZLCJGVXZHYSQR-UHFFFAOYSA-N
MW265.19 g/mol
LogP4.20
Rot. Bonds2

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

bis(3-chlorothiophen-2-yl)methanol (PubChem CID 80642135) has the molecular formula C9H6Cl2OS2 and a molecular weight of 265.19 g/mol. Its IUPAC name is bis(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Namebis(3-chlorothiophen-2-yl)methanol
PubChem CID80642135
Molecular FormulaC9H6Cl2OS2
Molecular Weight265.19 g/mol
Exact Mass263.92
IUPAC Namebis(3-chlorothiophen-2-yl)methanol
SMILESOC(c1sccc1Cl)c1sccc1Cl
InChIInChI=1S/C9H6Cl2OS2/c10-5-1-3-13-8(5)7(12)9-6(11)2-4-14-9/h1-4,7,12H
InChIKeyAZLCJGVXZHYSQR-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530486
(1R)-1-(3-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 107359618
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(3-chlorothiophen-2-yl)-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 80642386
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanol
CID 80529656
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
1-(3-chlorothiophen-2-yl)-2,2-difluoropropan-1-ol
CID 130701576

Frequently Asked Questions

What is the IUPAC name of bis(3-chlorothiophen-2-yl)methanol?
The IUPAC name of bis(3-chlorothiophen-2-yl)methanol (CID 80642135) is bis(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for bis(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for bis(3-chlorothiophen-2-yl)methanol is OC(c1sccc1Cl)c1sccc1Cl.
What is the InChIKey of bis(3-chlorothiophen-2-yl)methanol?
The InChIKey is AZLCJGVXZHYSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2OS2/c10-5-1-3-13-8(5)7(12)9-6(11)2-4-14-9/h1-4,7,12H.
What are the key properties of bis(3-chlorothiophen-2-yl)methanol?
bis(3-chlorothiophen-2-yl)methanol has a molecular weight of 265.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80642135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).