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

C10H15NS — CID 70419532

IUPAC2-(1-amino-2-methylpropan-2-yl)benzenethiol
SMILESCC(C)(CN)c1ccccc1S
InChIInChI=1S/C10H15NS/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6,12H,7,11H2,1-2H3
InChIKeyTXZPTDVRHFADEG-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.21
Rot. Bonds2

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

2-(1-amino-2-methylpropan-2-yl)benzenethiol (PubChem CID 70419532) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(1-amino-2-methylpropan-2-yl)benzenethiol.

Molecular Properties

Compound Name2-(1-amino-2-methylpropan-2-yl)benzenethiol
PubChem CID70419532
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(1-amino-2-methylpropan-2-yl)benzenethiol
SMILESCC(C)(CN)c1ccccc1S
InChIInChI=1S/C10H15NS/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6,12H,7,11H2,1-2H3
InChIKeyTXZPTDVRHFADEG-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butylbenzenethiol;hydrochloride;tetrahydrofluoride
CID 173024933
2-(2-phosphanylbutan-2-yl)benzenethiol
CID 130305375
2-(2-fluoro-3-methylphenyl)-2-methylpropan-1-amine
CID 83696433
2-(2-methoxy-3-pyridinyl)-2-methylpropan-1-amine
CID 130543295
2-(2,3-dichlorophenyl)-2-methylpropan-1-amine;hydrochloride
CID 57455746
2,3-ditert-butylbenzenethiol
CID 22629957
2-(5-methoxynaphthalen-1-yl)-2-methylpropan-1-amine
CID 105487005
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
2-[1-[4-[1,1-bis(2-sulfanylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethyl]benzenethiol
CID 155358414
2-(4-amino-2-methylpentan-2-yl)phenol
CID 143655608
bis(4-methylphenyl)-(2-sulfanylphenyl)methanol
CID 139640876
2-(1,3-benzodioxol-4-yl)-2-methylpropan-1-amine
CID 83830382

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-methylpropan-2-yl)benzenethiol?
The IUPAC name of 2-(1-amino-2-methylpropan-2-yl)benzenethiol (CID 70419532) is 2-(1-amino-2-methylpropan-2-yl)benzenethiol.
What is the SMILES notation for 2-(1-amino-2-methylpropan-2-yl)benzenethiol?
The canonical SMILES for 2-(1-amino-2-methylpropan-2-yl)benzenethiol is CC(C)(CN)c1ccccc1S.
What is the InChIKey of 2-(1-amino-2-methylpropan-2-yl)benzenethiol?
The InChIKey is TXZPTDVRHFADEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,7-11)8-5-3-4-6-9(8)12/h3-6,12H,7,11H2,1-2H3.
What are the key properties of 2-(1-amino-2-methylpropan-2-yl)benzenethiol?
2-(1-amino-2-methylpropan-2-yl)benzenethiol has a molecular weight of 181.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-methylpropan-2-yl)benzenethiol is sourced from PubChem (CID 70419532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).