4-propyl-1,4-thiazine

C7H11NS — CID 90991749

IUPAC4-propyl-1,4-thiazine
SMILESCCCN1C=CSC=C1
InChIInChI=1S/C7H11NS/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
InChIKeyOYHNQSLQYSTKSQ-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.39
Rot. Bonds2

About 4-propyl-1,4-thiazine

4-propyl-1,4-thiazine (PubChem CID 90991749) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 4-propyl-1,4-thiazine.

Molecular Properties

Compound Name4-propyl-1,4-thiazine
PubChem CID90991749
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name4-propyl-1,4-thiazine
SMILESCCCN1C=CSC=C1
InChIInChI=1S/C7H11NS/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3
InChIKeyOYHNQSLQYSTKSQ-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,4-thiazine?
The IUPAC name of 4-propyl-1,4-thiazine (CID 90991749) is 4-propyl-1,4-thiazine.
What is the SMILES notation for 4-propyl-1,4-thiazine?
The canonical SMILES for 4-propyl-1,4-thiazine is CCCN1C=CSC=C1.
What is the InChIKey of 4-propyl-1,4-thiazine?
The InChIKey is OYHNQSLQYSTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3.
What are the key properties of 4-propyl-1,4-thiazine?
4-propyl-1,4-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,4-thiazine is sourced from PubChem (CID 90991749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).