3-chloro-2-methylthiophene

C5H5ClS — CID 19824077

IUPAC3-chloro-2-methylthiophene
SMILESCc1sccc1Cl
InChIInChI=1S/C5H5ClS/c1-4-5(6)2-3-7-4/h2-3H,1H3
InChIKeyNUFSHDCNQRBKRK-UHFFFAOYSA-N
MW132.62 g/mol
LogP2.71
Rot. Bonds

About 3-chloro-2-methylthiophene

3-chloro-2-methylthiophene (PubChem CID 19824077) has the molecular formula C5H5ClS and a molecular weight of 132.62 g/mol. Its IUPAC name is 3-chloro-2-methylthiophene.

Molecular Properties

Compound Name3-chloro-2-methylthiophene
PubChem CID19824077
Molecular FormulaC5H5ClS
Molecular Weight132.62 g/mol
Exact Mass131.98
IUPAC Name3-chloro-2-methylthiophene
SMILESCc1sccc1Cl
InChIInChI=1S/C5H5ClS/c1-4-5(6)2-3-7-4/h2-3H,1H3
InChIKeyNUFSHDCNQRBKRK-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.62
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylthiophene?
The IUPAC name of 3-chloro-2-methylthiophene (CID 19824077) is 3-chloro-2-methylthiophene.
What is the SMILES notation for 3-chloro-2-methylthiophene?
The canonical SMILES for 3-chloro-2-methylthiophene is Cc1sccc1Cl.
What is the InChIKey of 3-chloro-2-methylthiophene?
The InChIKey is NUFSHDCNQRBKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClS/c1-4-5(6)2-3-7-4/h2-3H,1H3.
What are the key properties of 3-chloro-2-methylthiophene?
3-chloro-2-methylthiophene has a molecular weight of 132.62 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylthiophene is sourced from PubChem (CID 19824077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).