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

C10H9ClS2 — CID 134861597

IUPAC2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene
SMILESCc1cc(-c2sccc2C)sc1Cl
InChIInChI=1S/C10H9ClS2/c1-6-3-4-12-9(6)8-5-7(2)10(11)13-8/h3-5H,1-2H3
InChIKeyIMVBVYBGRWYZNC-UHFFFAOYSA-N
MW228.77 g/mol
LogP4.75
Rot. Bonds1

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

2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene (PubChem CID 134861597) has the molecular formula C10H9ClS2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene
PubChem CID134861597
Molecular FormulaC10H9ClS2
Molecular Weight228.77 g/mol
Exact Mass227.98
IUPAC Name2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene
SMILESCc1cc(-c2sccc2C)sc1Cl
InChIInChI=1S/C10H9ClS2/c1-6-3-4-12-9(6)8-5-7(2)10(11)13-8/h3-5H,1-2H3
InChIKeyIMVBVYBGRWYZNC-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene?
The IUPAC name of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene (CID 134861597) is 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene?
The canonical SMILES for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene is Cc1cc(-c2sccc2C)sc1Cl.
What is the InChIKey of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene?
The InChIKey is IMVBVYBGRWYZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS2/c1-6-3-4-12-9(6)8-5-7(2)10(11)13-8/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene?
2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene has a molecular weight of 228.77 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-5-(3-methylthiophen-2-yl)thiophene is sourced from PubChem (CID 134861597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).