N-ethyl-4-methylsulfanylaniline

C9H13NS — CID 18432387

IUPACN-ethyl-4-methylsulfanylaniline
SMILESCCNc1ccc(SC)cc1
InChIInChI=1S/C9H13NS/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyWNHUUKHYGOKSKD-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.84
Rot. Bonds3

About N-ethyl-4-methylsulfanylaniline

N-ethyl-4-methylsulfanylaniline (PubChem CID 18432387) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N-ethyl-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-ethyl-4-methylsulfanylaniline
PubChem CID18432387
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN-ethyl-4-methylsulfanylaniline
SMILESCCNc1ccc(SC)cc1
InChIInChI=1S/C9H13NS/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3
InChIKeyWNHUUKHYGOKSKD-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
N-Butylaniline
CID 14310
4-(Methylthio)aniline
CID 66038
p-Dimethylaminophenyl thiocyanate
CID 23540
4-(Dimethylamino)benzene-1-thiol
CID 21061
N-sec-Butylaniline
CID 253532
4'-(Methylthio)acetanilide
CID 289475
Benzenamine, N-propyl-
CID 12153
S-(4-acetamidophenyl) ethanethioate
CID 247471
p,p'-Dithiocyanatodiphenylamine
CID 79267
1-(4-(Methylsulfonyl)phenyl)piperazine
CID 735904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methylsulfanylaniline?
The IUPAC name of N-ethyl-4-methylsulfanylaniline (CID 18432387) is N-ethyl-4-methylsulfanylaniline.
What is the SMILES notation for N-ethyl-4-methylsulfanylaniline?
The canonical SMILES for N-ethyl-4-methylsulfanylaniline is CCNc1ccc(SC)cc1.
What is the InChIKey of N-ethyl-4-methylsulfanylaniline?
The InChIKey is WNHUUKHYGOKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-10-8-4-6-9(11-2)7-5-8/h4-7,10H,3H2,1-2H3.
What are the key properties of N-ethyl-4-methylsulfanylaniline?
N-ethyl-4-methylsulfanylaniline has a molecular weight of 167.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methylsulfanylaniline is sourced from PubChem (CID 18432387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).