1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine

C9H14N2S — CID 144983496

IUPAC1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine
SMILESC=S(C)c1ccc(NC)c(N)c1
InChIInChI=1S/C9H14N2S/c1-11-9-5-4-7(12(2)3)6-8(9)10/h4-6,11H,2,10H2,1,3H3
InChIKeyPEFQNIYJFGKITJ-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.00
Rot. Bonds2

About 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine

1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine (PubChem CID 144983496) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine
PubChem CID144983496
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine
SMILESC=S(C)c1ccc(NC)c(N)c1
InChIInChI=1S/C9H14N2S/c1-11-9-5-4-7(12(2)3)6-8(9)10/h4-6,11H,2,10H2,1,3H3
InChIKeyPEFQNIYJFGKITJ-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-4-(pentafluoro-λ6-sulfanyl)benzene-1,2-diamine
CID 89401746
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
CID 144996884
1-N-methyl-4-[(methylideneamino)oxymethyl]benzene-1,2-diamine
CID 89298693
1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine
CID 155700978
1-N-methyl-4-nitrosobenzene-1,2-diamine
CID 88570571
4-(3-aminophenyl)-1-N-methylbenzene-1,2-diamine
CID 68788590
1-N-methyl-4-(methylsulfonylmethyl)benzene-1,2-diamine
CID 160506958
ethane;2-N-methylbenzene-1,2-diamine
CID 91146948
1-N-methyl-4-propan-2-ylsulfonylbenzene-1,2-diamine
CID 72943075
4-(dichloromethylsulfonyl)-1-N-methylbenzene-1,2-diamine
CID 13403122
methyl-methylidene-(4-methylphenyl)-λ4-sulfane
CID 59881740
methyl-methylidene-(3-methylphenyl)-λ4-sulfane
CID 88589966

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine?
The IUPAC name of 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine (CID 144983496) is 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine is C=S(C)c1ccc(NC)c(N)c1.
What is the InChIKey of 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine?
The InChIKey is PEFQNIYJFGKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-11-9-5-4-7(12(2)3)6-8(9)10/h4-6,11H,2,10H2,1,3H3.
What are the key properties of 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine?
1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine has a molecular weight of 182.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine is sourced from PubChem (CID 144983496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).