4-(cyclopropylamino)benzenethiol

C9H11NS — CID 142049671

IUPAC4-(cyclopropylamino)benzenethiol
SMILESSc1ccc(NC2CC2)cc1
InChIInChI=1S/C9H11NS/c11-9-5-3-8(4-6-9)10-7-1-2-7/h3-7,10-11H,1-2H2
InChIKeyRARRBBDDHKIRJS-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.55
Rot. Bonds2

About 4-(cyclopropylamino)benzenethiol

4-(cyclopropylamino)benzenethiol (PubChem CID 142049671) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 4-(cyclopropylamino)benzenethiol.

Molecular Properties

Compound Name4-(cyclopropylamino)benzenethiol
PubChem CID142049671
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name4-(cyclopropylamino)benzenethiol
SMILESSc1ccc(NC2CC2)cc1
InChIInChI=1S/C9H11NS/c11-9-5-3-8(4-6-9)10-7-1-2-7/h3-7,10-11H,1-2H2
InChIKeyRARRBBDDHKIRJS-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)benzenethiol 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

N-cyclopropylaniline;hydrochloride
CID 44717153
N-cyclopropyl-4-phenylaniline
CID 83702708
4-[[(1S,2S)-2-anilinocyclopentyl]amino]benzenethiol
CID 71658114
4-(cyclopropylamino)benzaldehyde
CID 83815728
4-(cyclopropylamino)benzamide
CID 103605968
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
[4-(cyclopropylamino)phenyl]urea
CID 103439135
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
N-cyclopentyl-4-(pentafluoro-λ6-sulfanyl)aniline
CID 170900129
4-[(4-methylcyclohexyl)amino]benzaldehyde
CID 145346630
4-N-(4-methylsulfanylphenyl)cyclohexane-1,4-diamine
CID 79736798
N-[4-[(cyclopropylamino)methyl]phenyl]cycloheptanamine
CID 106913373

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)benzenethiol?
The IUPAC name of 4-(cyclopropylamino)benzenethiol (CID 142049671) is 4-(cyclopropylamino)benzenethiol.
What is the SMILES notation for 4-(cyclopropylamino)benzenethiol?
The canonical SMILES for 4-(cyclopropylamino)benzenethiol is Sc1ccc(NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylamino)benzenethiol?
The InChIKey is RARRBBDDHKIRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c11-9-5-3-8(4-6-9)10-7-1-2-7/h3-7,10-11H,1-2H2.
What are the key properties of 4-(cyclopropylamino)benzenethiol?
4-(cyclopropylamino)benzenethiol has a molecular weight of 165.26 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)benzenethiol is sourced from PubChem (CID 142049671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).