ethane;2-propylsulfanylaniline

C11H19NS — CID 143337712

IUPACethane;2-propylsulfanylaniline
SMILESCC.CCCSc1ccccc1N
InChIInChI=1S/C9H13NS.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6H,2,7,10H2,1H3;1-2H3
InChIKeyASFZQJLNGBAMBY-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.80
Rot. Bonds3

About ethane;2-propylsulfanylaniline

ethane;2-propylsulfanylaniline (PubChem CID 143337712) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is ethane;2-propylsulfanylaniline.

Molecular Properties

Compound Nameethane;2-propylsulfanylaniline
PubChem CID143337712
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Nameethane;2-propylsulfanylaniline
SMILESCC.CCCSc1ccccc1N
InChIInChI=1S/C9H13NS.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6H,2,7,10H2,1H3;1-2H3
InChIKeyASFZQJLNGBAMBY-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-propoxyethylsulfanyl)aniline
CID 106453300
(2-propylsulfanylphenyl)methanamine
CID 43528783
2-propylsulfanylbenzene-1,4-diamine
CID 22749922
4-(2-aminophenyl)sulfanyl-2-methylbutan-2-ol
CID 79356210
2-(3,3,3-trifluoropropylsulfanyl)aniline
CID 64564843
2-(3-chloropropylsulfanyl)aniline;hydrochloride
CID 142778993
2-propylsulfanylbenzaldehyde
CID 13357292
2-(2-pyrazol-1-ylethylsulfanyl)aniline
CID 61491837
3-dodecylsulfanyl-2-methylaniline
CID 79128711
2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
CID 103482660
2-[[3,5-bis[(2-aminophenyl)sulfanylmethyl]-2,4,6-trimethylphenyl]methylsulfanyl]aniline
CID 11341583
ethyl 5-(2-aminophenyl)sulfanylpentanoate
CID 139687059

Frequently Asked Questions

What is the IUPAC name of ethane;2-propylsulfanylaniline?
The IUPAC name of ethane;2-propylsulfanylaniline (CID 143337712) is ethane;2-propylsulfanylaniline.
What is the SMILES notation for ethane;2-propylsulfanylaniline?
The canonical SMILES for ethane;2-propylsulfanylaniline is CC.CCCSc1ccccc1N.
What is the InChIKey of ethane;2-propylsulfanylaniline?
The InChIKey is ASFZQJLNGBAMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS.C2H6/c1-2-7-11-9-6-4-3-5-8(9)10;1-2/h3-6H,2,7,10H2,1H3;1-2H3.
What are the key properties of ethane;2-propylsulfanylaniline?
ethane;2-propylsulfanylaniline has a molecular weight of 197.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propylsulfanylaniline is sourced from PubChem (CID 143337712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).