S-[amino(phenyl)methyl]thiohydroxylamine

C7H10N2S — CID 144591958

IUPACS-[amino(phenyl)methyl]thiohydroxylamine
SMILESNSC(N)c1ccccc1
InChIInChI=1S/C7H10N2S/c8-7(10-9)6-4-2-1-3-5-6/h1-5,7H,8-9H2
InChIKeyUPGGOTZETPTVHM-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.25
Rot. Bonds2

About S-[amino(phenyl)methyl]thiohydroxylamine

S-[amino(phenyl)methyl]thiohydroxylamine (PubChem CID 144591958) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is S-[amino(phenyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[amino(phenyl)methyl]thiohydroxylamine
PubChem CID144591958
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC NameS-[amino(phenyl)methyl]thiohydroxylamine
SMILESNSC(N)c1ccccc1
InChIInChI=1S/C7H10N2S/c8-7(10-9)6-4-2-1-3-5-6/h1-5,7H,8-9H2
InChIKeyUPGGOTZETPTVHM-UHFFFAOYSA-N
XLogP1.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(S)-amino(phenyl)methyl] carbamodithioate
CID 88798677
[fluoro(fluoro)methyl]benzene
CID 146164458
bromo(phenyl)methanamine;hydroiodide
CID 175393432
diphenylmethanamine;methanethiol
CID 143873840
1,2,3-triphenylpropane-1,3-diamine
CID 67052848
ethane;(1R)-1-phenylethanamine
CID 142977390
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
dimethylsilyl(phenyl)methanamine
CID 174967124
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
[amino(phenyl)methyl]phosphonous acid
CID 11975873
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364

Frequently Asked Questions

What is the IUPAC name of S-[amino(phenyl)methyl]thiohydroxylamine?
The IUPAC name of S-[amino(phenyl)methyl]thiohydroxylamine (CID 144591958) is S-[amino(phenyl)methyl]thiohydroxylamine.
What is the SMILES notation for S-[amino(phenyl)methyl]thiohydroxylamine?
The canonical SMILES for S-[amino(phenyl)methyl]thiohydroxylamine is NSC(N)c1ccccc1.
What is the InChIKey of S-[amino(phenyl)methyl]thiohydroxylamine?
The InChIKey is UPGGOTZETPTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c8-7(10-9)6-4-2-1-3-5-6/h1-5,7H,8-9H2.
What are the key properties of S-[amino(phenyl)methyl]thiohydroxylamine?
S-[amino(phenyl)methyl]thiohydroxylamine has a molecular weight of 154.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[amino(phenyl)methyl]thiohydroxylamine is sourced from PubChem (CID 144591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).