S-(4-cyclopropylphenyl)thiohydroxylamine;methane

C10H15NS — CID 142343490

IUPACS-(4-cyclopropylphenyl)thiohydroxylamine;methane
SMILESC.NSc1ccc(C2CC2)cc1
InChIInChI=1S/C9H11NS.CH4/c10-11-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H4
InChIKeyUXGPTNULIBFIAP-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.17
Rot. Bonds2

About S-(4-cyclopropylphenyl)thiohydroxylamine;methane

S-(4-cyclopropylphenyl)thiohydroxylamine;methane (PubChem CID 142343490) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is S-(4-cyclopropylphenyl)thiohydroxylamine;methane.

Molecular Properties

Compound NameS-(4-cyclopropylphenyl)thiohydroxylamine;methane
PubChem CID142343490
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC NameS-(4-cyclopropylphenyl)thiohydroxylamine;methane
SMILESC.NSc1ccc(C2CC2)cc1
InChIInChI=1S/C9H11NS.CH4/c10-11-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H4
InChIKeyUXGPTNULIBFIAP-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]phenyl]thiohydroxylamine
CID 145312714
nonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),6(46),7,9(45),10(44),11,13(43),14(42),15,17(41),22,24,26,28,30,33,35,37-octadecaene
CID 135033819
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
benzene;cyclopropylbenzene
CID 144638417
5-(4-cyclopropylphenyl)cyclohexane-1,3-dione
CID 81339773
1-cyclopropyl-4-(4-cyclopropylphenyl)iodanuidylbenzene
CID 59545104
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-(4-dimethylphosphorylcyclohexyl)-4-methylsulfanylbenzene;ethane
CID 91616329

Frequently Asked Questions

What is the IUPAC name of S-(4-cyclopropylphenyl)thiohydroxylamine;methane?
The IUPAC name of S-(4-cyclopropylphenyl)thiohydroxylamine;methane (CID 142343490) is S-(4-cyclopropylphenyl)thiohydroxylamine;methane.
What is the SMILES notation for S-(4-cyclopropylphenyl)thiohydroxylamine;methane?
The canonical SMILES for S-(4-cyclopropylphenyl)thiohydroxylamine;methane is C.NSc1ccc(C2CC2)cc1.
What is the InChIKey of S-(4-cyclopropylphenyl)thiohydroxylamine;methane?
The InChIKey is UXGPTNULIBFIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.CH4/c10-11-9-5-3-8(4-6-9)7-1-2-7;/h3-7H,1-2,10H2;1H4.
What are the key properties of S-(4-cyclopropylphenyl)thiohydroxylamine;methane?
S-(4-cyclopropylphenyl)thiohydroxylamine;methane has a molecular weight of 181.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-cyclopropylphenyl)thiohydroxylamine;methane is sourced from PubChem (CID 142343490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).