2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride

C8H14Cl2N2S — CID 19431152

IUPAC2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride
SMILESCSc1cc(N)c(C)cc1N.Cl.Cl
InChIInChI=1S/C8H12N2S.2ClH/c1-5-3-7(10)8(11-2)4-6(5)9;;/h3-4H,9-10H2,1-2H3;2*1H
InChIKeyJNEZJIBITRBUJZ-UHFFFAOYSA-N
MW241.19 g/mol
LogP2.72
Rot. Bonds1

About 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride

2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride (PubChem CID 19431152) has the molecular formula C8H14Cl2N2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride
PubChem CID19431152
Molecular FormulaC8H14Cl2N2S
Molecular Weight241.19 g/mol
Exact Mass240.03
IUPAC Name2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride
SMILESCSc1cc(N)c(C)cc1N.Cl.Cl
InChIInChI=1S/C8H12N2S.2ClH/c1-5-3-7(10)8(11-2)4-6(5)9;;/h3-4H,9-10H2,1-2H3;2*1H
InChIKeyJNEZJIBITRBUJZ-UHFFFAOYSA-N
XLogP2.72
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,4-bis(methylsulfanyl)phenol
CID 18997686
4-amino-5-(5-amino-2-hydroxy-4-methylphenyl)sulfanyl-2-methylphenol
CID 118867595
4-chloro-2-methylsulfanylaniline;hydrochloride
CID 122360132
4-(4-amino-3-methylsulfanylphenyl)-2-methylsulfanylaniline
CID 21327477
2-methyl-5-methylsulfanylaniline
CID 62911126
5-[(5-amino-4-fluoro-2-methylphenyl)disulfanyl]-2-fluoro-4-methylaniline
CID 90220032
2,4-dimethyl-6-methylsulfanylaniline;methanamine;methane
CID 157177077
4-fluoro-6-methylbenzene-1,3-diamine;hydrate
CID 141142247
11-methyltriphenylene-2,3,6,7,10-pentamine
CID 126681989
2-methylsulfanyl-4-propan-2-ylaniline
CID 18427733
2-(bromomethyl)-5-methylsulfanyl-1-benzothiophen-6-amine
CID 130884983
3-methyl-6-methylsulfanylbenzene-1,2-diamine
CID 66756534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride?
The IUPAC name of 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride (CID 19431152) is 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride?
The canonical SMILES for 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride is CSc1cc(N)c(C)cc1N.Cl.Cl.
What is the InChIKey of 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride?
The InChIKey is JNEZJIBITRBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.2ClH/c1-5-3-7(10)8(11-2)4-6(5)9;;/h3-4H,9-10H2,1-2H3;2*1H.
What are the key properties of 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride?
2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride has a molecular weight of 241.19 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanylbenzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 19431152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).