2-amino-4-(methylamino)benzenethiol;ethane

C9H16N2S — CID 142272168

IUPAC2-amino-4-(methylamino)benzenethiol;ethane
SMILESCC.CNc1ccc(S)c(N)c1
InChIInChI=1S/C7H10N2S.C2H6/c1-9-5-2-3-7(10)6(8)4-5;1-2/h2-4,9-10H,8H2,1H3;1-2H3
InChIKeyOLBNNKKCVKNXBY-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.63
Rot. Bonds1

About 2-amino-4-(methylamino)benzenethiol;ethane

2-amino-4-(methylamino)benzenethiol;ethane (PubChem CID 142272168) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-amino-4-(methylamino)benzenethiol;ethane.

Molecular Properties

Compound Name2-amino-4-(methylamino)benzenethiol;ethane
PubChem CID142272168
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-amino-4-(methylamino)benzenethiol;ethane
SMILESCC.CNc1ccc(S)c(N)c1
InChIInChI=1S/C7H10N2S.C2H6/c1-9-5-2-3-7(10)6(8)4-5;1-2/h2-4,9-10H,8H2,1H3;1-2H3
InChIKeyOLBNNKKCVKNXBY-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-1-N-methylbenzene-1,3-diamine
CID 130787957
5-amino-2-[(E)-2-[4-(methylamino)-2-sulfanylphenyl]ethenyl]benzenethiol
CID 143879273
1-N-methyl-4-phenylbenzene-1,3-diamine
CID 68787466
2-(ethylamino)-4-(methylamino)benzenethiol
CID 142272173
[2-amino-5-(methylamino)phenyl]boronic acid
CID 68786537
2-amino-5-[[3-(methylamino)phenyl]methyl]benzenethiol
CID 116998399
2-amino-4-trimethylsilylbenzenethiol
CID 142708022
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-[(E)-(dimethylhydrazinylidene)methyl]-4-N-methylbenzene-1,4-diamine
CID 130443214
3-amino-5-(methylamino)benzenethiol
CID 142297583
3,4-difluoro-N-methylaniline;ethane
CID 143398651
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(methylamino)benzenethiol;ethane?
The IUPAC name of 2-amino-4-(methylamino)benzenethiol;ethane (CID 142272168) is 2-amino-4-(methylamino)benzenethiol;ethane.
What is the SMILES notation for 2-amino-4-(methylamino)benzenethiol;ethane?
The canonical SMILES for 2-amino-4-(methylamino)benzenethiol;ethane is CC.CNc1ccc(S)c(N)c1.
What is the InChIKey of 2-amino-4-(methylamino)benzenethiol;ethane?
The InChIKey is OLBNNKKCVKNXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S.C2H6/c1-9-5-2-3-7(10)6(8)4-5;1-2/h2-4,9-10H,8H2,1H3;1-2H3.
What are the key properties of 2-amino-4-(methylamino)benzenethiol;ethane?
2-amino-4-(methylamino)benzenethiol;ethane has a molecular weight of 184.31 g/mol, XLogP of 2.63, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(methylamino)benzenethiol;ethane is sourced from PubChem (CID 142272168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).