(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone

C10H7ClOS2 — CID 114976007

IUPAC(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)cs1
InChIInChI=1S/C10H7ClOS2/c1-6-4-7(5-14-6)9(12)10-8(11)2-3-13-10/h2-5H,1H3
InChIKeyBMDIBHFZRWEVNC-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.00
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone

(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone (PubChem CID 114976007) has the molecular formula C10H7ClOS2 and a molecular weight of 242.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
PubChem CID114976007
Molecular FormulaC10H7ClOS2
Molecular Weight242.75 g/mol
Exact Mass241.96
IUPAC Name(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2sccc2Cl)cs1
InChIInChI=1S/C10H7ClOS2/c1-6-4-7(5-14-6)9(12)10-8(11)2-3-13-10/h2-5H,1H3
InChIKeyBMDIBHFZRWEVNC-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976016
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 65099409
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-chloro-2,5-dimethylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80645435
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
CID 80529759
(3-amino-5-fluoro-4-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531689
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone (CID 114976007) is (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2sccc2Cl)cs1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is BMDIBHFZRWEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS2/c1-6-4-7(5-14-6)9(12)10-8(11)2-3-13-10/h2-5H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone?
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 242.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 114976007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).