S-(3-tert-butylphenyl)thiohydroxylamine

C10H15NS — CID 121369608

IUPACS-(3-tert-butylphenyl)thiohydroxylamine
SMILESCC(C)(C)c1cccc(SN)c1
InChIInChI=1S/C10H15NS/c1-10(2,3)8-5-4-6-9(7-8)12-11/h4-7H,11H2,1-3H3
InChIKeyDVBCOSJPBJJWCE-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.95
Rot. Bonds1

About S-(3-tert-butylphenyl)thiohydroxylamine

S-(3-tert-butylphenyl)thiohydroxylamine (PubChem CID 121369608) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is S-(3-tert-butylphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(3-tert-butylphenyl)thiohydroxylamine
PubChem CID121369608
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameS-(3-tert-butylphenyl)thiohydroxylamine
SMILESCC(C)(C)c1cccc(SN)c1
InChIInChI=1S/C10H15NS/c1-10(2,3)8-5-4-6-9(7-8)12-11/h4-7H,11H2,1-3H3
InChIKeyDVBCOSJPBJJWCE-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-(3-tert-butylphenyl)thiohydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alumane;1,3-ditert-butylbenzene
CID 174392215
bis(3-tert-butylphenyl)methanediamine
CID 141292033
magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
1-(3-tert-butylphenyl)sulfanylpiperidine
CID 143939163
3-tert-butylaniline;hydrobromide
CID 155928054
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
2-(3-tert-butylphenyl)sulfanylisoindole-1,3-dione
CID 142466852
4-(3-tert-butylphenyl)sulfanylpyrimidine
CID 165347184
3-tert-butylaniline;tert-butylbenzene
CID 158494400
(3-tert-butylphenyl)azanium
CID 147404652
1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 141226069
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
CID 130721988

Frequently Asked Questions

What is the IUPAC name of S-(3-tert-butylphenyl)thiohydroxylamine?
The IUPAC name of S-(3-tert-butylphenyl)thiohydroxylamine (CID 121369608) is S-(3-tert-butylphenyl)thiohydroxylamine.
What is the SMILES notation for S-(3-tert-butylphenyl)thiohydroxylamine?
The canonical SMILES for S-(3-tert-butylphenyl)thiohydroxylamine is CC(C)(C)c1cccc(SN)c1.
What is the InChIKey of S-(3-tert-butylphenyl)thiohydroxylamine?
The InChIKey is DVBCOSJPBJJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-10(2,3)8-5-4-6-9(7-8)12-11/h4-7H,11H2,1-3H3.
What are the key properties of S-(3-tert-butylphenyl)thiohydroxylamine?
S-(3-tert-butylphenyl)thiohydroxylamine has a molecular weight of 181.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-tert-butylphenyl)thiohydroxylamine is sourced from PubChem (CID 121369608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).