6-prop-2-enyl-2H-1,3-thiazine

C7H9NS — CID 173311722

IUPAC6-prop-2-enyl-2H-1,3-thiazine
SMILESC=CCC1=CC=NCS1
InChIInChI=1S/C7H9NS/c1-2-3-7-4-5-8-6-9-7/h2,4-5H,1,3,6H2
InChIKeyPDTNIDXDSSUSBU-UHFFFAOYSA-N
MW139.22 g/mol
LogP2.22
Rot. Bonds2

About 6-prop-2-enyl-2H-1,3-thiazine

6-prop-2-enyl-2H-1,3-thiazine (PubChem CID 173311722) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is 6-prop-2-enyl-2H-1,3-thiazine.

Molecular Properties

Compound Name6-prop-2-enyl-2H-1,3-thiazine
PubChem CID173311722
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name6-prop-2-enyl-2H-1,3-thiazine
SMILESC=CCC1=CC=NCS1
InChIInChI=1S/C7H9NS/c1-2-3-7-4-5-8-6-9-7/h2,4-5H,1,3,6H2
InChIKeyPDTNIDXDSSUSBU-UHFFFAOYSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.22
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 6-prop-2-enyl-2H-1,3-thiazine?
The IUPAC name of 6-prop-2-enyl-2H-1,3-thiazine (CID 173311722) is 6-prop-2-enyl-2H-1,3-thiazine.
What is the SMILES notation for 6-prop-2-enyl-2H-1,3-thiazine?
The canonical SMILES for 6-prop-2-enyl-2H-1,3-thiazine is C=CCC1=CC=NCS1.
What is the InChIKey of 6-prop-2-enyl-2H-1,3-thiazine?
The InChIKey is PDTNIDXDSSUSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS/c1-2-3-7-4-5-8-6-9-7/h2,4-5H,1,3,6H2.
What are the key properties of 6-prop-2-enyl-2H-1,3-thiazine?
6-prop-2-enyl-2H-1,3-thiazine has a molecular weight of 139.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-2H-1,3-thiazine is sourced from PubChem (CID 173311722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).