3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane

C10H17ClS — CID 163567415

IUPAC3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane
SMILESCS(C)(CCCCl)C1=CC=CC1
InChIInChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyFWJYANIIIOCUHC-UHFFFAOYSA-N
MW204.77 g/mol
LogP3.52
Rot. Bonds4

About 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane

3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane (PubChem CID 163567415) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane.

Molecular Properties

Compound Name3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane
PubChem CID163567415
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Name3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane
SMILESCS(C)(CCCCl)C1=CC=CC1
InChIInChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyFWJYANIIIOCUHC-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-5-methyl-2,3-dihydrothiophene
CID 21655963
2-Chloroocta-4,6,7-trienyl(trimethyl)-lambda4-sulfane
CID 90723377
5-Butyl-2-chloro-2,3-dihydrothiophene
CID 91568490
6-Chloro-2-propylsulfanylocta-3,5-diene
CID 123157638
2-Chloro-5-propylsulfanylcyclohepta-1,3,5-triene
CID 123287151
5-Chloro-6-methylsulfanylcyclohexa-1,3-diene
CID 123291201
5-Chloro-2-propylsulfanylocta-3,5-diene
CID 123909443
3-Chloropropyl-cyclopenta-2,4-dien-1-yl-dimethyl-lambda4-sulfane
CID 126684444
2-Chloro-5-(chloromethyl)-1-methyl-1-pentyl-2,3-dihydrothiophene
CID 134267892
(2S)-2-chloro-5-[(E)-2-methylsulfanylethenyl]-2,3-dihydrothiophene
CID 142152053
(2Z,4Z)-5-chloro-4-(ethylsulfanylmethyl)hepta-2,4-diene
CID 142222638
(3Z)-5-(1-chloroethyl)-2-methylidene-3-prop-2-enylidenethiophene;ethane
CID 143932322

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane?
The IUPAC name of 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane (CID 163567415) is 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane.
What is the SMILES notation for 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane?
The canonical SMILES for 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane is CS(C)(CCCCl)C1=CC=CC1.
What is the InChIKey of 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane?
The InChIKey is FWJYANIIIOCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClS/c1-12(2,9-5-8-11)10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3.
What are the key properties of 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane?
3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane has a molecular weight of 204.77 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl-cyclopenta-1,3-dien-1-yl-dimethyl-λ4-sulfane is sourced from PubChem (CID 163567415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).