(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone

C11H9ClOS2 — CID 103408011

IUPAC(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1csc(C(=O)c2ccsc2C)c1Cl
InChIInChI=1S/C11H9ClOS2/c1-6-5-15-11(9(6)12)10(13)8-3-4-14-7(8)2/h3-5H,1-2H3
InChIKeyPFVXVLIZZQBXLV-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.31
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone

(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone (PubChem CID 103408011) has the molecular formula C11H9ClOS2 and a molecular weight of 256.78 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
PubChem CID103408011
Molecular FormulaC11H9ClOS2
Molecular Weight256.78 g/mol
Exact Mass255.98
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1csc(C(=O)c2ccsc2C)c1Cl
InChIInChI=1S/C11H9ClOS2/c1-6-5-15-11(9(6)12)10(13)8-3-4-14-7(8)2/h3-5H,1-2H3
InChIKeyPFVXVLIZZQBXLV-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-methylthiophen-3-yl)methanone
CID 101441488
(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344
(3-chloro-4-methylthiophen-2-yl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 103400398
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
(3-chloro-4-methylthiophen-2-yl)-(2-ethoxyphenyl)methanone
CID 103407639
(3-chloro-4-methylthiophen-2-yl)-quinolin-8-ylmethanone
CID 103407845
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395
(3-bromofuran-2-yl)-(3-chloro-4-methylthiophen-2-yl)methanone
CID 103407673
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone (CID 103408011) is (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone is Cc1csc(C(=O)c2ccsc2C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is PFVXVLIZZQBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS2/c1-6-5-15-11(9(6)12)10(13)8-3-4-14-7(8)2/h3-5H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone?
(3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 256.78 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 103408011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).