S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine

C9H11NS — CID 143261626

IUPACS-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
SMILESCc1ccc(/C=C/SN)cc1
InChIInChI=1S/C9H11NS/c1-8-2-4-9(5-3-8)6-7-11-10/h2-7H,10H2,1H3/b7-6+
InChIKeyMZFBAXFCHKWYAH-VOTSOKGWSA-N
MW165.26 g/mol
LogP2.57
Rot. Bonds2

About S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine

S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine (PubChem CID 143261626) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
PubChem CID143261626
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC NameS-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine
SMILESCc1ccc(/C=C/SN)cc1
InChIInChI=1S/C9H11NS/c1-8-2-4-9(5-3-8)6-7-11-10/h2-7H,10H2,1H3/b7-6+
InChIKeyMZFBAXFCHKWYAH-VOTSOKGWSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.57
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

ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 91206086
ethane;1-methyl-4-[2-(4-methylphenyl)ethenyl]benzene
CID 90770914
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
1-methyl-4-[(E)-2-phenylethenyl]sulfanylbenzene
CID 6082395
(E,2R)-4-(4-methylphenyl)but-3-en-2-amine
CID 96955830
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
N-methyl-1-(4-methylphenyl)methanimine
CID 11208221
4-[(E)-2-(4-methylphenyl)ethenyl]pyridin-1-ium
CID 102059663
N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
4-[4-(4-methylphenyl)buta-1,3-dienyl]phenol
CID 87425519

Frequently Asked Questions

What is the IUPAC name of S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine?
The IUPAC name of S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine (CID 143261626) is S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine.
What is the SMILES notation for S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine?
The canonical SMILES for S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine is Cc1ccc(/C=C/SN)cc1.
What is the InChIKey of S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine?
The InChIKey is MZFBAXFCHKWYAH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11NS/c1-8-2-4-9(5-3-8)6-7-11-10/h2-7H,10H2,1H3/b7-6+.
What are the key properties of S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine?
S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine has a molecular weight of 165.26 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(E)-2-(4-methylphenyl)ethenyl]thiohydroxylamine is sourced from PubChem (CID 143261626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).