(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine

C9H12N2S — CID 163786268

IUPAC(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine
SMILESCSc1ccc(/C(N)=C/N)cc1
InChIInChI=1S/C9H12N2S/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,10-11H2,1H3/b9-6-
InChIKeyMSVBIZWWEMMEJG-TWGQIWQCSA-N
MW180.28 g/mol
LogP1.62
Rot. Bonds2

About (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine

(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine (PubChem CID 163786268) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine
PubChem CID163786268
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine
SMILESCSc1ccc(/C(N)=C/N)cc1
InChIInChI=1S/C9H12N2S/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,10-11H2,1H3/b9-6-
InChIKeyMSVBIZWWEMMEJG-TWGQIWQCSA-N
XLogP1.62
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine (CID 163786268) is (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine is CSc1ccc(/C(N)=C/N)cc1.
What is the InChIKey of (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine?
The InChIKey is MSVBIZWWEMMEJG-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H12N2S/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-6H,10-11H2,1H3/b9-6-.
What are the key properties of (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine?
(Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine has a molecular weight of 180.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylsulfanylphenyl)ethene-1,2-diamine is sourced from PubChem (CID 163786268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).