2-chloro-5-(1-chloropropyl)thiophene

C7H8Cl2S — CID 61086027

IUPAC2-chloro-5-(1-chloropropyl)thiophene
SMILESCCC(Cl)c1ccc(Cl)s1
InChIInChI=1S/C7H8Cl2S/c1-2-5(8)6-3-4-7(9)10-6/h3-5H,2H2,1H3
InChIKeyBRJRZDJDMMSECT-UHFFFAOYSA-N
MW195.11 g/mol
LogP4.09
Rot. Bonds2

About 2-chloro-5-(1-chloropropyl)thiophene

2-chloro-5-(1-chloropropyl)thiophene (PubChem CID 61086027) has the molecular formula C7H8Cl2S and a molecular weight of 195.11 g/mol. Its IUPAC name is 2-chloro-5-(1-chloropropyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(1-chloropropyl)thiophene
PubChem CID61086027
Molecular FormulaC7H8Cl2S
Molecular Weight195.11 g/mol
Exact Mass193.97
IUPAC Name2-chloro-5-(1-chloropropyl)thiophene
SMILESCCC(Cl)c1ccc(Cl)s1
InChIInChI=1S/C7H8Cl2S/c1-2-5(8)6-3-4-7(9)10-6/h3-5H,2H2,1H3
InChIKeyBRJRZDJDMMSECT-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.11
LogP ≤ 54.09
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

(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745
2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
CID 63432524
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
2-[2-(5-chlorothiophen-2-yl)butyl]-3-ethyloxirane
CID 83934926
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]butan-1-ol
CID 116913224
1-(5-chlorothiophen-2-yl)-3-methylidenepentan-1-ol
CID 115817545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-chloropropyl)thiophene?
The IUPAC name of 2-chloro-5-(1-chloropropyl)thiophene (CID 61086027) is 2-chloro-5-(1-chloropropyl)thiophene.
What is the SMILES notation for 2-chloro-5-(1-chloropropyl)thiophene?
The canonical SMILES for 2-chloro-5-(1-chloropropyl)thiophene is CCC(Cl)c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(1-chloropropyl)thiophene?
The InChIKey is BRJRZDJDMMSECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2S/c1-2-5(8)6-3-4-7(9)10-6/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-5-(1-chloropropyl)thiophene?
2-chloro-5-(1-chloropropyl)thiophene has a molecular weight of 195.11 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-chloropropyl)thiophene is sourced from PubChem (CID 61086027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).