3-[2-(chloromethyl)pentyl]thiophene

C10H15ClS — CID 66036116

IUPAC3-[2-(chloromethyl)pentyl]thiophene
SMILESCCCC(CCl)Cc1ccsc1
InChIInChI=1S/C10H15ClS/c1-2-3-9(7-11)6-10-4-5-12-8-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeySGWNUDGJLPTIQF-UHFFFAOYSA-N
MW202.75 g/mol
LogP3.95
Rot. Bonds5

About 3-[2-(chloromethyl)pentyl]thiophene

3-[2-(chloromethyl)pentyl]thiophene (PubChem CID 66036116) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is 3-[2-(chloromethyl)pentyl]thiophene.

Molecular Properties

Compound Name3-[2-(chloromethyl)pentyl]thiophene
PubChem CID66036116
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name3-[2-(chloromethyl)pentyl]thiophene
SMILESCCCC(CCl)Cc1ccsc1
InChIInChI=1S/C10H15ClS/c1-2-3-9(7-11)6-10-4-5-12-8-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeySGWNUDGJLPTIQF-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 53.95
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-(2-hexyldecyl)thiophene
CID 67456553
3-(2-ethylbutyl)thiophene
CID 89133993
3-[4-chloro-3-(chloromethyl)butyl]thiophene
CID 79448287
3-[3-[(4-bromophenyl)methyl]-4-chlorobutyl]thiophene
CID 66035727
3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]thiophene
CID 66049250
2-(thiophen-3-ylmethyl)butan-1-ol
CID 21301482
2-(thiophen-3-ylmethyl)butan-1-amine
CID 62503668
1-tert-butyl-4-[2-(chloromethyl)pentyl]benzene
CID 66034313
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
3-(2,3-dimethyloctyl)thiophene
CID 22501098
4-[2-(chloromethyl)pentyl]-1,3-thiazole
CID 66036568

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)pentyl]thiophene?
The IUPAC name of 3-[2-(chloromethyl)pentyl]thiophene (CID 66036116) is 3-[2-(chloromethyl)pentyl]thiophene.
What is the SMILES notation for 3-[2-(chloromethyl)pentyl]thiophene?
The canonical SMILES for 3-[2-(chloromethyl)pentyl]thiophene is CCCC(CCl)Cc1ccsc1.
What is the InChIKey of 3-[2-(chloromethyl)pentyl]thiophene?
The InChIKey is SGWNUDGJLPTIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClS/c1-2-3-9(7-11)6-10-4-5-12-8-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 3-[2-(chloromethyl)pentyl]thiophene?
3-[2-(chloromethyl)pentyl]thiophene has a molecular weight of 202.75 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)pentyl]thiophene is sourced from PubChem (CID 66036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).