2-prop-2-enyl-1-sulfanylidene-1,3-thiazole

C6H7NS2 — CID 69409151

IUPAC2-prop-2-enyl-1-sulfanylidene-1,3-thiazole
SMILESC=CCC1=NC=CS1=S
InChIInChI=1S/C6H7NS2/c1-2-3-6-7-4-5-9(6)8/h2,4-5H,1,3H2
InChIKeyNMQHMZXPHCOKJS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.53
Rot. Bonds2

About 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole

2-prop-2-enyl-1-sulfanylidene-1,3-thiazole (PubChem CID 69409151) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole.

Molecular Properties

Compound Name2-prop-2-enyl-1-sulfanylidene-1,3-thiazole
PubChem CID69409151
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Name2-prop-2-enyl-1-sulfanylidene-1,3-thiazole
SMILESC=CCC1=NC=CS1=S
InChIInChI=1S/C6H7NS2/c1-2-3-6-7-4-5-9(6)8/h2,4-5H,1,3H2
InChIKeyNMQHMZXPHCOKJS-UHFFFAOYSA-N
XLogP1.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole?
The IUPAC name of 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole (CID 69409151) is 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole.
What is the SMILES notation for 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole?
The canonical SMILES for 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole is C=CCC1=NC=CS1=S.
What is the InChIKey of 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole?
The InChIKey is NMQHMZXPHCOKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS2/c1-2-3-6-7-4-5-9(6)8/h2,4-5H,1,3H2.
What are the key properties of 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole?
2-prop-2-enyl-1-sulfanylidene-1,3-thiazole has a molecular weight of 157.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-1-sulfanylidene-1,3-thiazole is sourced from PubChem (CID 69409151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).