5-propan-2-yl-2-(propylamino)benzenethiol

C12H19NS — CID 170042950

IUPAC5-propan-2-yl-2-(propylamino)benzenethiol
SMILESCCCNc1ccc(C(C)C)cc1S
InChIInChI=1S/C12H19NS/c1-4-7-13-11-6-5-10(9(2)3)8-12(11)14/h5-6,8-9,13-14H,4,7H2,1-3H3
InChIKeyVBWUNMLPTQGVQQ-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.92
Rot. Bonds4

About 5-propan-2-yl-2-(propylamino)benzenethiol

5-propan-2-yl-2-(propylamino)benzenethiol (PubChem CID 170042950) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 5-propan-2-yl-2-(propylamino)benzenethiol.

Molecular Properties

Compound Name5-propan-2-yl-2-(propylamino)benzenethiol
PubChem CID170042950
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name5-propan-2-yl-2-(propylamino)benzenethiol
SMILESCCCNc1ccc(C(C)C)cc1S
InChIInChI=1S/C12H19NS/c1-4-7-13-11-6-5-10(9(2)3)8-12(11)14/h5-6,8-9,13-14H,4,7H2,1-3H3
InChIKeyVBWUNMLPTQGVQQ-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.92
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-(methylamino)-5-propan-2-ylbenzenethiol
CID 1482375
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
6-propan-2-yl-N,3-dipropylquinolin-2-amine
CID 63525770
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
N'-(2-methoxy-4-propan-2-ylphenyl)-N-methylbutane-1,4-diamine
CID 115201692
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
1-[2,4-di(propan-2-yl)phenyl]-N-propylpropan-1-amine
CID 43496442
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
3-[2,4-di(propan-2-yl)phenyl]-3-methyl-N-propylbutan-1-amine
CID 79836887
2,4-bis[phenyl(propylamino)methyl]-N-propylaniline
CID 54550409
3-(2-methyl-5-propan-2-ylanilino)propanoic acid
CID 82494306
4-N-ethyl-2-fluoro-1-N-[2-(2-fluoro-4-propan-2-ylphenyl)ethyl]benzene-1,4-diamine
CID 123353438

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(propylamino)benzenethiol?
The IUPAC name of 5-propan-2-yl-2-(propylamino)benzenethiol (CID 170042950) is 5-propan-2-yl-2-(propylamino)benzenethiol.
What is the SMILES notation for 5-propan-2-yl-2-(propylamino)benzenethiol?
The canonical SMILES for 5-propan-2-yl-2-(propylamino)benzenethiol is CCCNc1ccc(C(C)C)cc1S.
What is the InChIKey of 5-propan-2-yl-2-(propylamino)benzenethiol?
The InChIKey is VBWUNMLPTQGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-4-7-13-11-6-5-10(9(2)3)8-12(11)14/h5-6,8-9,13-14H,4,7H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-(propylamino)benzenethiol?
5-propan-2-yl-2-(propylamino)benzenethiol has a molecular weight of 209.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(propylamino)benzenethiol is sourced from PubChem (CID 170042950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).