2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol

C10H16N2S — CID 116994191

IUPAC2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol
SMILESCC(C)(CN)c1ccc(N)c(S)c1
InChIInChI=1S/C10H16N2S/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5,13H,6,11-12H2,1-2H3
InChIKeyQGIAYTMYGFKOQY-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol

2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol (PubChem CID 116994191) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol.

Molecular Properties

Compound Name2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol
PubChem CID116994191
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol
SMILESCC(C)(CN)c1ccc(N)c(S)c1
InChIInChI=1S/C10H16N2S/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5,13H,6,11-12H2,1-2H3
InChIKeyQGIAYTMYGFKOQY-UHFFFAOYSA-N
XLogP1.79
TPSA52.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol?
The IUPAC name of 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol (CID 116994191) is 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol.
What is the SMILES notation for 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol?
The canonical SMILES for 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol is CC(C)(CN)c1ccc(N)c(S)c1.
What is the InChIKey of 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol?
The InChIKey is QGIAYTMYGFKOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2,6-11)7-3-4-8(12)9(13)5-7/h3-5,13H,6,11-12H2,1-2H3.
What are the key properties of 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol?
2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol has a molecular weight of 196.32 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-amino-2-methylpropan-2-yl)benzenethiol is sourced from PubChem (CID 116994191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).