S-(1-phenylethenyl)thiohydroxylamine

C8H9NS — CID 152889911

IUPACS-(1-phenylethenyl)thiohydroxylamine
SMILESC=C(SN)c1ccccc1
InChIInChI=1S/C8H9NS/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1,9H2
InChIKeyUDGBMVDGZNLCTB-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.26
Rot. Bonds2

About S-(1-phenylethenyl)thiohydroxylamine

S-(1-phenylethenyl)thiohydroxylamine (PubChem CID 152889911) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is S-(1-phenylethenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-phenylethenyl)thiohydroxylamine
PubChem CID152889911
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameS-(1-phenylethenyl)thiohydroxylamine
SMILESC=C(SN)c1ccccc1
InChIInChI=1S/C8H9NS/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1,9H2
InChIKeyUDGBMVDGZNLCTB-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze S-(1-phenylethenyl)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

1-phenylethenylsulfanylbenzene
CID 3594215
S-amino benzenecarbothioate
CID 569822
2-(1-phenylethenylsulfanyl)prop-2-enal
CID 170789721
S-(2-methyl-3-phenylbut-3-en-2-yl)thiohydroxylamine
CID 174893542
potassium 1-phenylethenylbenzene
CID 19358731
1-phenylethenylbenzene;hydrochloride
CID 70400725
phenacyl
CID 11123355
mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
4-phenylpenta-1,4-dien-2-ylbenzene
CID 102571838
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
1-bromoethenylbenzene;sulfane
CID 175924538
prop-1-en-2-ylbenzene;silane
CID 174724970

Frequently Asked Questions

What is the IUPAC name of S-(1-phenylethenyl)thiohydroxylamine?
The IUPAC name of S-(1-phenylethenyl)thiohydroxylamine (CID 152889911) is S-(1-phenylethenyl)thiohydroxylamine.
What is the SMILES notation for S-(1-phenylethenyl)thiohydroxylamine?
The canonical SMILES for S-(1-phenylethenyl)thiohydroxylamine is C=C(SN)c1ccccc1.
What is the InChIKey of S-(1-phenylethenyl)thiohydroxylamine?
The InChIKey is UDGBMVDGZNLCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-7(10-9)8-5-3-2-4-6-8/h2-6H,1,9H2.
What are the key properties of S-(1-phenylethenyl)thiohydroxylamine?
S-(1-phenylethenyl)thiohydroxylamine has a molecular weight of 151.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-phenylethenyl)thiohydroxylamine is sourced from PubChem (CID 152889911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).