N-prop-2-enylthiohydroxylamine;1,3,5-triazine

C6H10N4S — CID 88831918

IUPACN-prop-2-enylthiohydroxylamine;1,3,5-triazine
SMILESC=CCNS.c1ncncn1
InChIInChI=1S/C3H3N3.C3H7NS/c1-4-2-6-3-5-1;1-2-3-4-5/h1-3H;2,4-5H,1,3H2
InChIKeyZOQWDGFPBASLBL-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.48
Rot. Bonds2

About N-prop-2-enylthiohydroxylamine;1,3,5-triazine

N-prop-2-enylthiohydroxylamine;1,3,5-triazine (PubChem CID 88831918) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is N-prop-2-enylthiohydroxylamine;1,3,5-triazine.

Molecular Properties

Compound NameN-prop-2-enylthiohydroxylamine;1,3,5-triazine
PubChem CID88831918
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC NameN-prop-2-enylthiohydroxylamine;1,3,5-triazine
SMILESC=CCNS.c1ncncn1
InChIInChI=1S/C3H3N3.C3H7NS/c1-4-2-6-3-5-1;1-2-3-4-5/h1-3H;2,4-5H,1,3H2
InChIKeyZOQWDGFPBASLBL-UHFFFAOYSA-N
XLogP0.48
TPSA50.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylthiohydroxylamine;1,3,5-triazine?
The IUPAC name of N-prop-2-enylthiohydroxylamine;1,3,5-triazine (CID 88831918) is N-prop-2-enylthiohydroxylamine;1,3,5-triazine.
What is the SMILES notation for N-prop-2-enylthiohydroxylamine;1,3,5-triazine?
The canonical SMILES for N-prop-2-enylthiohydroxylamine;1,3,5-triazine is C=CCNS.c1ncncn1.
What is the InChIKey of N-prop-2-enylthiohydroxylamine;1,3,5-triazine?
The InChIKey is ZOQWDGFPBASLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H7NS/c1-4-2-6-3-5-1;1-2-3-4-5/h1-3H;2,4-5H,1,3H2.
What are the key properties of N-prop-2-enylthiohydroxylamine;1,3,5-triazine?
N-prop-2-enylthiohydroxylamine;1,3,5-triazine has a molecular weight of 170.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylthiohydroxylamine;1,3,5-triazine is sourced from PubChem (CID 88831918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).