2-amino-5-(4-aminophenyl)benzenethiol

C12H12N2S — CID 116994217

IUPAC2-amino-5-(4-aminophenyl)benzenethiol
SMILESNc1ccc(-c2ccc(N)c(S)c2)cc1
InChIInChI=1S/C12H12N2S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,15H,13-14H2
InChIKeyRNCIJQAXDOPPHL-UHFFFAOYSA-N
MW216.31 g/mol
LogP2.81
Rot. Bonds1

About 2-amino-5-(4-aminophenyl)benzenethiol

2-amino-5-(4-aminophenyl)benzenethiol (PubChem CID 116994217) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 2-amino-5-(4-aminophenyl)benzenethiol.

Molecular Properties

Compound Name2-amino-5-(4-aminophenyl)benzenethiol
PubChem CID116994217
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name2-amino-5-(4-aminophenyl)benzenethiol
SMILESNc1ccc(-c2ccc(N)c(S)c2)cc1
InChIInChI=1S/C12H12N2S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,15H,13-14H2
InChIKeyRNCIJQAXDOPPHL-UHFFFAOYSA-N
XLogP2.81
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 52.81
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

2-amino-5-(4-ethoxyphenyl)benzenethiol
CID 139776815
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(4-aminophenyl)-2-N-methylbenzene-1,2-diamine
CID 68785076
5-(4-aminophenyl)-2-methylaniline
CID 68788638
acetylene;4-(4-aminophenyl)aniline
CID 18766839
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
4-(4-aminophenyl)-2-(methyldiazenyl)aniline
CID 70286516
aniline;4-(3,4-diaminophenyl)benzene-1,2-diamine
CID 160814118
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
2-amino-5-naphthalen-1-ylbenzenethiol
CID 154132377
4-(4-aminophenyl)-2-propylaniline
CID 67866626

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-aminophenyl)benzenethiol?
The IUPAC name of 2-amino-5-(4-aminophenyl)benzenethiol (CID 116994217) is 2-amino-5-(4-aminophenyl)benzenethiol.
What is the SMILES notation for 2-amino-5-(4-aminophenyl)benzenethiol?
The canonical SMILES for 2-amino-5-(4-aminophenyl)benzenethiol is Nc1ccc(-c2ccc(N)c(S)c2)cc1.
What is the InChIKey of 2-amino-5-(4-aminophenyl)benzenethiol?
The InChIKey is RNCIJQAXDOPPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7,15H,13-14H2.
What are the key properties of 2-amino-5-(4-aminophenyl)benzenethiol?
2-amino-5-(4-aminophenyl)benzenethiol has a molecular weight of 216.31 g/mol, XLogP of 2.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-aminophenyl)benzenethiol is sourced from PubChem (CID 116994217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).