N'-(4-methylsulfanylphenyl)ethane-1,2-diamine

C9H14N2S — CID 15686149

IUPACN'-(4-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccc(NCCN)cc1
InChIInChI=1S/C9H14N2S/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyPLSIHOSSKFSNJY-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.78
Rot. Bonds4

About N'-(4-methylsulfanylphenyl)ethane-1,2-diamine

N'-(4-methylsulfanylphenyl)ethane-1,2-diamine (PubChem CID 15686149) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N'-(4-methylsulfanylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methylsulfanylphenyl)ethane-1,2-diamine
PubChem CID15686149
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN'-(4-methylsulfanylphenyl)ethane-1,2-diamine
SMILESCSc1ccc(NCCN)cc1
InChIInChI=1S/C9H14N2S/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKeyPLSIHOSSKFSNJY-UHFFFAOYSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-methylsulfanylphenyl)methanediamine
CID 115225438
2,2-dimethyl-N'-(4-methylsulfanylphenyl)butane-1,4-diamine
CID 115204721
N',N'-dimethyl-N-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 114525043
ethane;N'-phenylethane-1,2-diamine
CID 91048519
4-(2-aminoethylamino)phenol
CID 15538569
2-(4-methylsulfanylanilino)acetonitrile
CID 28573203
N'-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107440975
N'-hydroxy-2,2-dimethyl-4-(4-methylsulfanylanilino)butanimidamide
CID 77061906
N-[(2,3-difluorophenyl)methyl]-4-methylsulfanylaniline
CID 43425578
N'-(4-phenylphenyl)ethane-1,2-diamine
CID 15319687
N'-(4-ethylsulfanylphenyl)propane-1,3-diamine
CID 98783323
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methylsulfanylphenyl)ethane-1,2-diamine (CID 15686149) is N'-(4-methylsulfanylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methylsulfanylphenyl)ethane-1,2-diamine is CSc1ccc(NCCN)cc1.
What is the InChIKey of N'-(4-methylsulfanylphenyl)ethane-1,2-diamine?
The InChIKey is PLSIHOSSKFSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-12-9-4-2-8(3-5-9)11-7-6-10/h2-5,11H,6-7,10H2,1H3.
What are the key properties of N'-(4-methylsulfanylphenyl)ethane-1,2-diamine?
N'-(4-methylsulfanylphenyl)ethane-1,2-diamine has a molecular weight of 182.29 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylsulfanylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 15686149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).