(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol

C9H6BrClOS2 — CID 115820110

IUPAC(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cscc1Br)c1sccc1Cl
InChIInChI=1S/C9H6BrClOS2/c10-6-4-13-3-5(6)8(12)9-7(11)1-2-14-9/h1-4,8,12H
InChIKeyKFKSWHMEWAGPPC-UHFFFAOYSA-N
MW309.64 g/mol
LogP4.31
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol

(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 115820110) has the molecular formula C9H6BrClOS2 and a molecular weight of 309.64 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
PubChem CID115820110
Molecular FormulaC9H6BrClOS2
Molecular Weight309.64 g/mol
Exact Mass307.87
IUPAC Name(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1cscc1Br)c1sccc1Cl
InChIInChI=1S/C9H6BrClOS2/c10-6-4-13-3-5(6)8(12)9-7(11)1-2-14-9/h1-4,8,12H
InChIKeyKFKSWHMEWAGPPC-UHFFFAOYSA-N
XLogP4.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.64
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(3-bromo-2-methylphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530211
(3-bromo-5-chloro-2-methoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80642254
(2-bromo-4,5-diethoxyphenyl)-(3-chlorothiophen-2-yl)methanol
CID 80644142
(4-bromothiophen-3-yl)-(4-chlorothiophen-2-yl)methanol
CID 79595609
(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(4-bromothiophen-3-yl)-(3-chloro-2-fluorophenyl)methanol
CID 79595737
(3-chlorothiophen-2-yl)-(4-iodophenyl)methanol
CID 80530245
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(4-bromo-5-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanol
CID 102834578

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol (CID 115820110) is (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol is OC(c1cscc1Br)c1sccc1Cl.
What is the InChIKey of (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is KFKSWHMEWAGPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS2/c10-6-4-13-3-5(6)8(12)9-7(11)1-2-14-9/h1-4,8,12H.
What are the key properties of (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol?
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 309.64 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 115820110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).