2-(1-chloro-2-methylpropyl)-3-methylthiophene

C9H13ClS — CID 126973864

IUPAC2-(1-chloro-2-methylpropyl)-3-methylthiophene
SMILESCc1ccsc1C(Cl)C(C)C
InChIInChI=1S/C9H13ClS/c1-6(2)8(10)9-7(3)4-5-11-9/h4-6,8H,1-3H3
InChIKeyFJOFOBNSBNLYBW-UHFFFAOYSA-N
MW188.72 g/mol
LogP3.99
Rot. Bonds2

About 2-(1-chloro-2-methylpropyl)-3-methylthiophene

2-(1-chloro-2-methylpropyl)-3-methylthiophene (PubChem CID 126973864) has the molecular formula C9H13ClS and a molecular weight of 188.72 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropyl)-3-methylthiophene.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropyl)-3-methylthiophene
PubChem CID126973864
Molecular FormulaC9H13ClS
Molecular Weight188.72 g/mol
Exact Mass188.04
IUPAC Name2-(1-chloro-2-methylpropyl)-3-methylthiophene
SMILESCc1ccsc1C(Cl)C(C)C
InChIInChI=1S/C9H13ClS/c1-6(2)8(10)9-7(3)4-5-11-9/h4-6,8H,1-3H3
InChIKeyFJOFOBNSBNLYBW-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.72
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
2-[chloro-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80530251
N,3-dimethyl-2-(3-methylthiophen-2-yl)butan-1-amine
CID 83831443
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062
2-(3-methylthiophen-2-yl)propanenitrile
CID 63992078
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methylthiophene
CID 63429995
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
3-methyl-2-pentan-2-ylthiophene
CID 59774172
1-methoxy-N,N-dimethyl-1-(3-methylthiophen-2-yl)methanamine
CID 116914575
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 63544235
2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropyl)-3-methylthiophene?
The IUPAC name of 2-(1-chloro-2-methylpropyl)-3-methylthiophene (CID 126973864) is 2-(1-chloro-2-methylpropyl)-3-methylthiophene.
What is the SMILES notation for 2-(1-chloro-2-methylpropyl)-3-methylthiophene?
The canonical SMILES for 2-(1-chloro-2-methylpropyl)-3-methylthiophene is Cc1ccsc1C(Cl)C(C)C.
What is the InChIKey of 2-(1-chloro-2-methylpropyl)-3-methylthiophene?
The InChIKey is FJOFOBNSBNLYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClS/c1-6(2)8(10)9-7(3)4-5-11-9/h4-6,8H,1-3H3.
What are the key properties of 2-(1-chloro-2-methylpropyl)-3-methylthiophene?
2-(1-chloro-2-methylpropyl)-3-methylthiophene has a molecular weight of 188.72 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2-methylpropyl)-3-methylthiophene is sourced from PubChem (CID 126973864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).