(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone

C10H11ClOS — CID 102763100

IUPAC(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2CC2C)sc1Cl
InChIInChI=1S/C10H11ClOS/c1-5-3-7(5)9(12)8-4-6(2)10(11)13-8/h4-5,7H,3H2,1-2H3
InChIKeyVNIAUBRRQCUXCH-UHFFFAOYSA-N
MW214.72 g/mol
LogP3.55
Rot. Bonds2

About (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone

(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone (PubChem CID 102763100) has the molecular formula C10H11ClOS and a molecular weight of 214.72 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
PubChem CID102763100
Molecular FormulaC10H11ClOS
Molecular Weight214.72 g/mol
Exact Mass214.02
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2CC2C)sc1Cl
InChIInChI=1S/C10H11ClOS/c1-5-3-7(5)9(12)8-4-6(2)10(11)13-8/h4-5,7H,3H2,1-2H3
InChIKeyVNIAUBRRQCUXCH-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762899
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
(2-methylcyclopropyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43159748
(2-methylcyclopropyl)-(2,4,6-trimethylphenyl)methanone
CID 43159909
(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
CID 130608198
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
ethyl 2-(5-chloro-4-methylthiophen-2-yl)-2-oxoacetate
CID 102764348
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
1-(5-chloro-4-methylthiophen-2-yl)-2-methyl-2-methylsulfonylpropan-1-one
CID 102762845
4-(5-chloro-4-methylthiophen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 102763256
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone (CID 102763100) is (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone is Cc1cc(C(=O)C2CC2C)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone?
The InChIKey is VNIAUBRRQCUXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClOS/c1-5-3-7(5)9(12)8-4-6(2)10(11)13-8/h4-5,7H,3H2,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone has a molecular weight of 214.72 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 102763100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).