5-tert-butyl-3-chloro-2-methylthiophene

C9H13ClS — CID 118581553

IUPAC5-tert-butyl-3-chloro-2-methylthiophene
SMILESCc1sc(C(C)(C)C)cc1Cl
InChIInChI=1S/C9H13ClS/c1-6-7(10)5-8(11-6)9(2,3)4/h5H,1-4H3
InChIKeyPUTZVPQQYYSPDF-UHFFFAOYSA-N
MW188.72 g/mol
LogP4.01
Rot. Bonds

About 5-tert-butyl-3-chloro-2-methylthiophene

5-tert-butyl-3-chloro-2-methylthiophene (PubChem CID 118581553) has the molecular formula C9H13ClS and a molecular weight of 188.72 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2-methylthiophene.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2-methylthiophene
PubChem CID118581553
Molecular FormulaC9H13ClS
Molecular Weight188.72 g/mol
Exact Mass188.04
IUPAC Name5-tert-butyl-3-chloro-2-methylthiophene
SMILESCc1sc(C(C)(C)C)cc1Cl
InChIInChI=1S/C9H13ClS/c1-6-7(10)5-8(11-6)9(2,3)4/h5H,1-4H3
InChIKeyPUTZVPQQYYSPDF-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2-methylthiophene?
The IUPAC name of 5-tert-butyl-3-chloro-2-methylthiophene (CID 118581553) is 5-tert-butyl-3-chloro-2-methylthiophene.
What is the SMILES notation for 5-tert-butyl-3-chloro-2-methylthiophene?
The canonical SMILES for 5-tert-butyl-3-chloro-2-methylthiophene is Cc1sc(C(C)(C)C)cc1Cl.
What is the InChIKey of 5-tert-butyl-3-chloro-2-methylthiophene?
The InChIKey is PUTZVPQQYYSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClS/c1-6-7(10)5-8(11-6)9(2,3)4/h5H,1-4H3.
What are the key properties of 5-tert-butyl-3-chloro-2-methylthiophene?
5-tert-butyl-3-chloro-2-methylthiophene has a molecular weight of 188.72 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2-methylthiophene is sourced from PubChem (CID 118581553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).