3-(4-chlorophenyl)sulfanylbutan-1-amine

C10H14ClNS — CID 60914334

IUPAC3-(4-chlorophenyl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNS/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6-7,12H2,1H3
InChIKeyJAEMCTGNFIAPFM-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.17
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanylbutan-1-amine

3-(4-chlorophenyl)sulfanylbutan-1-amine (PubChem CID 60914334) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanylbutan-1-amine
PubChem CID60914334
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name3-(4-chlorophenyl)sulfanylbutan-1-amine
SMILESCC(CCN)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNS/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6-7,12H2,1H3
InChIKeyJAEMCTGNFIAPFM-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
(3R)-3-(4-chlorophenyl)sulfanylbutanoate
CID 7557534
3-(5-chlorothiophen-2-yl)sulfanylbutan-1-amine
CID 117032666
1-chloro-4-(1-chloropropylsulfanyl)benzene
CID 10036440
1-chloro-4-(dichloromethylsulfanyl)benzene
CID 15869632
3-(1-methylpyrazol-4-yl)sulfanylbutan-1-amine
CID 61385321
1-chloro-4-(1-fluoro-2-methylbutyl)sulfanylbenzene;ethane
CID 142240815
4-(4-chlorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64819063
1-chloro-4-[(E,2R)-pent-3-en-2-yl]sulfanylbenzene
CID 10998347
N,2-dimethyl-N-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115202469
4,4,4-trifluoro-3-(4-methylphenyl)sulfanylbutan-1-amine
CID 43753407
3-(2-methoxyphenyl)sulfanylbutan-1-amine
CID 61291883

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanylbutan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)sulfanylbutan-1-amine (CID 60914334) is 3-(4-chlorophenyl)sulfanylbutan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanylbutan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)sulfanylbutan-1-amine is CC(CCN)Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanylbutan-1-amine?
The InChIKey is JAEMCTGNFIAPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)sulfanylbutan-1-amine?
3-(4-chlorophenyl)sulfanylbutan-1-amine has a molecular weight of 215.75 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanylbutan-1-amine is sourced from PubChem (CID 60914334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).