1-chloro-4-(1-chloropropylsulfanyl)benzene

C9H10Cl2S — CID 10036440

IUPAC1-chloro-4-(1-chloropropylsulfanyl)benzene
SMILESCCC(Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C9H10Cl2S/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6,9H,2H2,1H3
InChIKeyJLRGBNDABARPRK-UHFFFAOYSA-N
MW221.15 g/mol
LogP4.41
Rot. Bonds3

About 1-chloro-4-(1-chloropropylsulfanyl)benzene

1-chloro-4-(1-chloropropylsulfanyl)benzene (PubChem CID 10036440) has the molecular formula C9H10Cl2S and a molecular weight of 221.15 g/mol. Its IUPAC name is 1-chloro-4-(1-chloropropylsulfanyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-chloropropylsulfanyl)benzene
PubChem CID10036440
Molecular FormulaC9H10Cl2S
Molecular Weight221.15 g/mol
Exact Mass219.99
IUPAC Name1-chloro-4-(1-chloropropylsulfanyl)benzene
SMILESCCC(Cl)Sc1ccc(Cl)cc1
InChIInChI=1S/C9H10Cl2S/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6,9H,2H2,1H3
InChIKeyJLRGBNDABARPRK-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 54.41
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

1-chloro-4-(dichloromethylsulfanyl)benzene
CID 15869632
1-(1-chloropropylsulfanyl)-4-methoxybenzene
CID 67755677
1-chloro-4-(1-fluoro-2-methylbutyl)sulfanylbenzene;ethane
CID 142240815
(2R)-2-(4-chlorophenyl)sulfanylbutanamide
CID 38010728
2-(4-chlorophenyl)sulfanylbutanamide
CID 43916551
1-chloro-4-(1,2,2-trichloropropylsulfanyl)benzene
CID 13419823
ethyl 2-(4-chlorophenyl)sulfanylbutanoate
CID 11345949
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1,4-bis(dichloromethylsulfanyl)benzene
CID 21224776
3-(4-chlorophenyl)sulfanylbutan-1-amine
CID 60914334
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
[2-chloro-1-(4-chlorophenyl)sulfanylethyl]-trimethylsilane
CID 12605864

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-chloropropylsulfanyl)benzene?
The IUPAC name of 1-chloro-4-(1-chloropropylsulfanyl)benzene (CID 10036440) is 1-chloro-4-(1-chloropropylsulfanyl)benzene.
What is the SMILES notation for 1-chloro-4-(1-chloropropylsulfanyl)benzene?
The canonical SMILES for 1-chloro-4-(1-chloropropylsulfanyl)benzene is CCC(Cl)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-chloropropylsulfanyl)benzene?
The InChIKey is JLRGBNDABARPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2S/c1-2-9(11)12-8-5-3-7(10)4-6-8/h3-6,9H,2H2,1H3.
What are the key properties of 1-chloro-4-(1-chloropropylsulfanyl)benzene?
1-chloro-4-(1-chloropropylsulfanyl)benzene has a molecular weight of 221.15 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-chloropropylsulfanyl)benzene is sourced from PubChem (CID 10036440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).