4-tert-butyl-1,4-thiazine

C8H13NS — CID 58312082

IUPAC4-tert-butyl-1,4-thiazine
SMILESCC(C)(C)N1C=CSC=C1
InChIInChI=1S/C8H13NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H,1-3H3
InChIKeyDDQWEYZTYVQZSM-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.78
Rot. Bonds

About 4-tert-butyl-1,4-thiazine

4-tert-butyl-1,4-thiazine (PubChem CID 58312082) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-tert-butyl-1,4-thiazine.

Molecular Properties

Compound Name4-tert-butyl-1,4-thiazine
PubChem CID58312082
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-tert-butyl-1,4-thiazine
SMILESCC(C)(C)N1C=CSC=C1
InChIInChI=1S/C8H13NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H,1-3H3
InChIKeyDDQWEYZTYVQZSM-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,4-thiazine?
The IUPAC name of 4-tert-butyl-1,4-thiazine (CID 58312082) is 4-tert-butyl-1,4-thiazine.
What is the SMILES notation for 4-tert-butyl-1,4-thiazine?
The canonical SMILES for 4-tert-butyl-1,4-thiazine is CC(C)(C)N1C=CSC=C1.
What is the InChIKey of 4-tert-butyl-1,4-thiazine?
The InChIKey is DDQWEYZTYVQZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-8(2,3)9-4-6-10-7-5-9/h4-7H,1-3H3.
What are the key properties of 4-tert-butyl-1,4-thiazine?
4-tert-butyl-1,4-thiazine has a molecular weight of 155.27 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,4-thiazine is sourced from PubChem (CID 58312082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).