S-benzylthiohydroxylamine

C7H9NS — CID 14664407

IUPACS-benzylthiohydroxylamine
SMILESNSCc1ccccc1
InChIInChI=1S/C7H9NS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyBCELSKZIQVOBEH-UHFFFAOYSA-N
MW139.22 g/mol
LogP1.79
Rot. Bonds2

About S-benzylthiohydroxylamine

S-benzylthiohydroxylamine (PubChem CID 14664407) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is S-benzylthiohydroxylamine.

Molecular Properties

Compound NameS-benzylthiohydroxylamine
PubChem CID14664407
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC NameS-benzylthiohydroxylamine
SMILESNSCc1ccccc1
InChIInChI=1S/C7H9NS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKeyBCELSKZIQVOBEH-UHFFFAOYSA-N
XLogP1.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.79
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

benzyl thiohypochlorite
CID 11332618
(benzyldisulfanyl)methylbenzene;carbamic acid
CID 159723781
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
(benzyltetrasulfanyl)methylbenzene;ethane
CID 143979084
ethane;hydroxysulfanylmethylbenzene
CID 143821204
ethane;methane;methylsulfanylmethylbenzene
CID 161395103
iodomethylsulfanylmethylbenzene
CID 12664832
1-benzylsulfanylpyrrole-2,5-diol
CID 54176954
2-(benzyldisulfanyl)ethylbenzene
CID 88836915
hydroperoxysulfanylmethylbenzene
CID 12561082
benzylsulfanyl(tetramethyl)-λ5-stibane
CID 131852530

Frequently Asked Questions

What is the IUPAC name of S-benzylthiohydroxylamine?
The IUPAC name of S-benzylthiohydroxylamine (CID 14664407) is S-benzylthiohydroxylamine.
What is the SMILES notation for S-benzylthiohydroxylamine?
The canonical SMILES for S-benzylthiohydroxylamine is NSCc1ccccc1.
What is the InChIKey of S-benzylthiohydroxylamine?
The InChIKey is BCELSKZIQVOBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2.
What are the key properties of S-benzylthiohydroxylamine?
S-benzylthiohydroxylamine has a molecular weight of 139.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-benzylthiohydroxylamine is sourced from PubChem (CID 14664407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).