2-prop-2-enyl-1,3-thiazole-4-thione

C6H7NS2 — CID 87060887

IUPAC2-prop-2-enyl-1,3-thiazole-4-thione
SMILESC=CCC1=NC(=S)CS1
InChIInChI=1S/C6H7NS2/c1-2-3-6-7-5(8)4-9-6/h2H,1,3-4H2
InChIKeyRDGJWNQSCKTWFZ-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.04
Rot. Bonds2

About 2-prop-2-enyl-1,3-thiazole-4-thione

2-prop-2-enyl-1,3-thiazole-4-thione (PubChem CID 87060887) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-prop-2-enyl-1,3-thiazole-4-thione.

Molecular Properties

Compound Name2-prop-2-enyl-1,3-thiazole-4-thione
PubChem CID87060887
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Name2-prop-2-enyl-1,3-thiazole-4-thione
SMILESC=CCC1=NC(=S)CS1
InChIInChI=1S/C6H7NS2/c1-2-3-6-7-5(8)4-9-6/h2H,1,3-4H2
InChIKeyRDGJWNQSCKTWFZ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-1,3-thiazole-4-thione?
The IUPAC name of 2-prop-2-enyl-1,3-thiazole-4-thione (CID 87060887) is 2-prop-2-enyl-1,3-thiazole-4-thione.
What is the SMILES notation for 2-prop-2-enyl-1,3-thiazole-4-thione?
The canonical SMILES for 2-prop-2-enyl-1,3-thiazole-4-thione is C=CCC1=NC(=S)CS1.
What is the InChIKey of 2-prop-2-enyl-1,3-thiazole-4-thione?
The InChIKey is RDGJWNQSCKTWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS2/c1-2-3-6-7-5(8)4-9-6/h2H,1,3-4H2.
What are the key properties of 2-prop-2-enyl-1,3-thiazole-4-thione?
2-prop-2-enyl-1,3-thiazole-4-thione has a molecular weight of 157.26 g/mol, XLogP of 2.04, 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-1,3-thiazole-4-thione is sourced from PubChem (CID 87060887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).