S-(1-benzylcyclopropyl)thiohydroxylamine

C10H13NS — CID 142895053

IUPACS-(1-benzylcyclopropyl)thiohydroxylamine
SMILESNSC1(Cc2ccccc2)CC1
InChIInChI=1S/C10H13NS/c11-12-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyPYPIUMTXGWMFAO-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.37
Rot. Bonds3

About S-(1-benzylcyclopropyl)thiohydroxylamine

S-(1-benzylcyclopropyl)thiohydroxylamine (PubChem CID 142895053) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is S-(1-benzylcyclopropyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(1-benzylcyclopropyl)thiohydroxylamine
PubChem CID142895053
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameS-(1-benzylcyclopropyl)thiohydroxylamine
SMILESNSC1(Cc2ccccc2)CC1
InChIInChI=1S/C10H13NS/c11-12-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2
InChIKeyPYPIUMTXGWMFAO-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of S-(1-benzylcyclopropyl)thiohydroxylamine?
The IUPAC name of S-(1-benzylcyclopropyl)thiohydroxylamine (CID 142895053) is S-(1-benzylcyclopropyl)thiohydroxylamine.
What is the SMILES notation for S-(1-benzylcyclopropyl)thiohydroxylamine?
The canonical SMILES for S-(1-benzylcyclopropyl)thiohydroxylamine is NSC1(Cc2ccccc2)CC1.
What is the InChIKey of S-(1-benzylcyclopropyl)thiohydroxylamine?
The InChIKey is PYPIUMTXGWMFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c11-12-10(6-7-10)8-9-4-2-1-3-5-9/h1-5H,6-8,11H2.
What are the key properties of S-(1-benzylcyclopropyl)thiohydroxylamine?
S-(1-benzylcyclopropyl)thiohydroxylamine has a molecular weight of 179.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(1-benzylcyclopropyl)thiohydroxylamine is sourced from PubChem (CID 142895053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).