S-[2-(4-methylphenyl)phenyl]thiohydroxylamine

C13H13NS — CID 142050886

IUPACS-[2-(4-methylphenyl)phenyl]thiohydroxylamine
SMILESCc1ccc(-c2ccccc2SN)cc1
InChIInChI=1S/C13H13NS/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)15-14/h2-9H,14H2,1H3
InChIKeyYAZBQSBFJOUNPD-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.63
Rot. Bonds2

About S-[2-(4-methylphenyl)phenyl]thiohydroxylamine

S-[2-(4-methylphenyl)phenyl]thiohydroxylamine (PubChem CID 142050886) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is S-[2-(4-methylphenyl)phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[2-(4-methylphenyl)phenyl]thiohydroxylamine
PubChem CID142050886
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC NameS-[2-(4-methylphenyl)phenyl]thiohydroxylamine
SMILESCc1ccc(-c2ccccc2SN)cc1
InChIInChI=1S/C13H13NS/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)15-14/h2-9H,14H2,1H3
InChIKeyYAZBQSBFJOUNPD-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.63
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

2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
sodium;hydride;2-(4-methylphenyl)benzenethiol
CID 175197737
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
tris[[2,6-bis(4-methylphenyl)phenyl]sulfanyl]bismuthane
CID 87490196
1-(difluoromethyl)-2-(4-methylphenyl)benzene
CID 154426240
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
4-methyl-1-(4-methylphenyl)-2-methylsulfanylbenzene
CID 143364745
ethane;4-(2-ethylsulfanylphenyl)aniline
CID 142086543
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018
2-(4-methylphenyl)-3-[3-(4-methylphenyl)-1,4-dioxonaphthalen-2-yl]naphthalene-1,4-dione
CID 141466102

Frequently Asked Questions

What is the IUPAC name of S-[2-(4-methylphenyl)phenyl]thiohydroxylamine?
The IUPAC name of S-[2-(4-methylphenyl)phenyl]thiohydroxylamine (CID 142050886) is S-[2-(4-methylphenyl)phenyl]thiohydroxylamine.
What is the SMILES notation for S-[2-(4-methylphenyl)phenyl]thiohydroxylamine?
The canonical SMILES for S-[2-(4-methylphenyl)phenyl]thiohydroxylamine is Cc1ccc(-c2ccccc2SN)cc1.
What is the InChIKey of S-[2-(4-methylphenyl)phenyl]thiohydroxylamine?
The InChIKey is YAZBQSBFJOUNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)15-14/h2-9H,14H2,1H3.
What are the key properties of S-[2-(4-methylphenyl)phenyl]thiohydroxylamine?
S-[2-(4-methylphenyl)phenyl]thiohydroxylamine has a molecular weight of 215.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(4-methylphenyl)phenyl]thiohydroxylamine is sourced from PubChem (CID 142050886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).