2-(1-chloro-2-methylpropan-2-yl)thiophene

C8H11ClS — CID 154107468

IUPAC2-(1-chloro-2-methylpropan-2-yl)thiophene
SMILESCC(C)(CCl)c1cccs1
InChIInChI=1S/C8H11ClS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3
InChIKeyDOLYHNREMGKLEI-UHFFFAOYSA-N
MW174.70 g/mol
LogP3.26
Rot. Bonds2

About 2-(1-chloro-2-methylpropan-2-yl)thiophene

2-(1-chloro-2-methylpropan-2-yl)thiophene (PubChem CID 154107468) has the molecular formula C8H11ClS and a molecular weight of 174.70 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropan-2-yl)thiophene.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropan-2-yl)thiophene
PubChem CID154107468
Molecular FormulaC8H11ClS
Molecular Weight174.70 g/mol
Exact Mass174.03
IUPAC Name2-(1-chloro-2-methylpropan-2-yl)thiophene
SMILESCC(C)(CCl)c1cccs1
InChIInChI=1S/C8H11ClS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3
InChIKeyDOLYHNREMGKLEI-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.70
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-chloro-2-methylpropan-2-yl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-(1-bromo-2-methylpropan-2-yl)thiophene
CID 83690309
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2-(1,1-dichloroethyl)thiophene
CID 12555703
2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
CID 18466748
1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
CID 80527625
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-tert-butylthiophene;methanamine
CID 143976463
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
CID 79830202
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)thiophene?
The IUPAC name of 2-(1-chloro-2-methylpropan-2-yl)thiophene (CID 154107468) is 2-(1-chloro-2-methylpropan-2-yl)thiophene.
What is the SMILES notation for 2-(1-chloro-2-methylpropan-2-yl)thiophene?
The canonical SMILES for 2-(1-chloro-2-methylpropan-2-yl)thiophene is CC(C)(CCl)c1cccs1.
What is the InChIKey of 2-(1-chloro-2-methylpropan-2-yl)thiophene?
The InChIKey is DOLYHNREMGKLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClS/c1-8(2,6-9)7-4-3-5-10-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(1-chloro-2-methylpropan-2-yl)thiophene?
2-(1-chloro-2-methylpropan-2-yl)thiophene has a molecular weight of 174.70 g/mol, XLogP of 3.26, 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-methylpropan-2-yl)thiophene is sourced from PubChem (CID 154107468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).