S-(2-iminopropyl)thiohydroxylamine

C3H8N2S — CID 123918861

IUPACS-(2-iminopropyl)thiohydroxylamine
SMILES[H]/N=C(\C)CSN
InChIInChI=1S/C3H8N2S/c1-3(4)2-6-5/h4H,2,5H2,1H3/b4-3+
InChIKeySHZKFNLYOFXPJS-ONEGZZNKSA-N
MW104.18 g/mol
LogP0.63
Rot. Bonds2

About S-(2-iminopropyl)thiohydroxylamine

S-(2-iminopropyl)thiohydroxylamine (PubChem CID 123918861) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is S-(2-iminopropyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-iminopropyl)thiohydroxylamine
PubChem CID123918861
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC NameS-(2-iminopropyl)thiohydroxylamine
SMILES[H]/N=C(\C)CSN
InChIInChI=1S/C3H8N2S/c1-3(4)2-6-5/h4H,2,5H2,1H3/b4-3+
InChIKeySHZKFNLYOFXPJS-ONEGZZNKSA-N
XLogP0.63
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-Iminopropyldisulfanyl)propan-2-imine
CID 122579168
3-N-methylsulfanylbutane-2,3-diimine
CID 129072956
3-N-methylsulfanylbutane-2,3-diimine
CID 154038933
(Propan-2-ylideneamino) ethanimidothioate
CID 154517434

Frequently Asked Questions

What is the IUPAC name of S-(2-iminopropyl)thiohydroxylamine?
The IUPAC name of S-(2-iminopropyl)thiohydroxylamine (CID 123918861) is S-(2-iminopropyl)thiohydroxylamine.
What is the SMILES notation for S-(2-iminopropyl)thiohydroxylamine?
The canonical SMILES for S-(2-iminopropyl)thiohydroxylamine is [H]/N=C(\C)CSN.
What is the InChIKey of S-(2-iminopropyl)thiohydroxylamine?
The InChIKey is SHZKFNLYOFXPJS-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H8N2S/c1-3(4)2-6-5/h4H,2,5H2,1H3/b4-3+.
What are the key properties of S-(2-iminopropyl)thiohydroxylamine?
S-(2-iminopropyl)thiohydroxylamine has a molecular weight of 104.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-iminopropyl)thiohydroxylamine is sourced from PubChem (CID 123918861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).