2-chloro-5-(5-methylthiophen-3-yl)thiophene

C9H7ClS2 — CID 58914494

IUPAC2-chloro-5-(5-methylthiophen-3-yl)thiophene
SMILESCc1cc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7ClS2/c1-6-4-7(5-11-6)8-2-3-9(10)12-8/h2-5H,1H3
InChIKeyPIWOSRAZXVIQHN-UHFFFAOYSA-N
MW214.74 g/mol
LogP4.44
Rot. Bonds1

About 2-chloro-5-(5-methylthiophen-3-yl)thiophene

2-chloro-5-(5-methylthiophen-3-yl)thiophene (PubChem CID 58914494) has the molecular formula C9H7ClS2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 2-chloro-5-(5-methylthiophen-3-yl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(5-methylthiophen-3-yl)thiophene
PubChem CID58914494
Molecular FormulaC9H7ClS2
Molecular Weight214.74 g/mol
Exact Mass213.97
IUPAC Name2-chloro-5-(5-methylthiophen-3-yl)thiophene
SMILESCc1cc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7ClS2/c1-6-4-7(5-11-6)8-2-3-9(10)12-8/h2-5H,1H3
InChIKeyPIWOSRAZXVIQHN-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-methylthiophen-3-yl)thiophene?
The IUPAC name of 2-chloro-5-(5-methylthiophen-3-yl)thiophene (CID 58914494) is 2-chloro-5-(5-methylthiophen-3-yl)thiophene.
What is the SMILES notation for 2-chloro-5-(5-methylthiophen-3-yl)thiophene?
The canonical SMILES for 2-chloro-5-(5-methylthiophen-3-yl)thiophene is Cc1cc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 2-chloro-5-(5-methylthiophen-3-yl)thiophene?
The InChIKey is PIWOSRAZXVIQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClS2/c1-6-4-7(5-11-6)8-2-3-9(10)12-8/h2-5H,1H3.
What are the key properties of 2-chloro-5-(5-methylthiophen-3-yl)thiophene?
2-chloro-5-(5-methylthiophen-3-yl)thiophene has a molecular weight of 214.74 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-methylthiophen-3-yl)thiophene is sourced from PubChem (CID 58914494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).