2-(methylamino)-5-propan-2-ylbenzenethiol

C10H15NS — CID 1482375

IUPAC2-(methylamino)-5-propan-2-ylbenzenethiol
SMILESCNc1ccc(C(C)C)cc1S
InChIInChI=1S/C10H15NS/c1-7(2)8-4-5-9(11-3)10(12)6-8/h4-7,11-12H,1-3H3
InChIKeyRFRYKBFCMHVNCQ-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.14
Rot. Bonds2

About 2-(methylamino)-5-propan-2-ylbenzenethiol

2-(methylamino)-5-propan-2-ylbenzenethiol (PubChem CID 1482375) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 2-(methylamino)-5-propan-2-ylbenzenethiol.

Molecular Properties

Compound Name2-(methylamino)-5-propan-2-ylbenzenethiol
PubChem CID1482375
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name2-(methylamino)-5-propan-2-ylbenzenethiol
SMILESCNc1ccc(C(C)C)cc1S
InChIInChI=1S/C10H15NS/c1-7(2)8-4-5-9(11-3)10(12)6-8/h4-7,11-12H,1-3H3
InChIKeyRFRYKBFCMHVNCQ-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 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 ≤ 53.14
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

5-propan-2-yl-2-(propylamino)benzenethiol
CID 170042950
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
2-(methylamino)-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 102239123
N-methyl-2-(2-phenylethynyl)-4-propan-2-ylaniline
CID 139257370
2-[2-(methylamino)-5-propan-2-ylphenoxy]acetaldehyde
CID 178062339
2-(methylamino)-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 87149252
ethane;4-(methylamino)-3-sulfanylbenzoic acid
CID 143465349
4-propan-2-yl-2-sulfanylbenzamide
CID 155744664
2-methylsulfanyl-N-(2-methylsulfanyl-4-propan-2-ylphenyl)-4-propan-2-ylaniline
CID 172539577
2-ethenyl-4-propan-2-ylbenzenethiol
CID 155112064
1-[4-methyl-3-(methylamino)phenyl]ethanol
CID 69041549

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-propan-2-ylbenzenethiol?
The IUPAC name of 2-(methylamino)-5-propan-2-ylbenzenethiol (CID 1482375) is 2-(methylamino)-5-propan-2-ylbenzenethiol.
What is the SMILES notation for 2-(methylamino)-5-propan-2-ylbenzenethiol?
The canonical SMILES for 2-(methylamino)-5-propan-2-ylbenzenethiol is CNc1ccc(C(C)C)cc1S.
What is the InChIKey of 2-(methylamino)-5-propan-2-ylbenzenethiol?
The InChIKey is RFRYKBFCMHVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)8-4-5-9(11-3)10(12)6-8/h4-7,11-12H,1-3H3.
What are the key properties of 2-(methylamino)-5-propan-2-ylbenzenethiol?
2-(methylamino)-5-propan-2-ylbenzenethiol has a molecular weight of 181.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-propan-2-ylbenzenethiol is sourced from PubChem (CID 1482375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).