N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine

C6H8N2S2 — CID 88769907

IUPACN-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine
SMILESC=CCN(S)c1nccs1
InChIInChI=1S/C6H8N2S2/c1-2-4-8(9)6-7-3-5-10-6/h2-3,5,9H,1,4H2
InChIKeyNINANHYJXVSVID-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.98
Rot. Bonds3

About N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine

N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine (PubChem CID 88769907) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine
PubChem CID88769907
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC NameN-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine
SMILESC=CCN(S)c1nccs1
InChIInChI=1S/C6H8N2S2/c1-2-4-8(9)6-7-3-5-10-6/h2-3,5,9H,1,4H2
InChIKeyNINANHYJXVSVID-UHFFFAOYSA-N
XLogP1.98
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine?
The IUPAC name of N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine (CID 88769907) is N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine.
What is the SMILES notation for N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine?
The canonical SMILES for N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine is C=CCN(S)c1nccs1.
What is the InChIKey of N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine?
The InChIKey is NINANHYJXVSVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-2-4-8(9)6-7-3-5-10-6/h2-3,5,9H,1,4H2.
What are the key properties of N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine?
N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine has a molecular weight of 172.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-(1,3-thiazol-2-yl)thiohydroxylamine is sourced from PubChem (CID 88769907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).