4-phenyl-1,4-thiazine

C10H9NS — CID 57200323

IUPAC4-phenyl-1,4-thiazine
SMILESC1=CN(c2ccccc2)C=CS1
InChIInChI=1S/C10H9NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
InChIKeyRNGNLIBVQNTJCA-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.18
Rot. Bonds1

About 4-phenyl-1,4-thiazine

4-phenyl-1,4-thiazine (PubChem CID 57200323) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 4-phenyl-1,4-thiazine.

Molecular Properties

Compound Name4-phenyl-1,4-thiazine
PubChem CID57200323
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name4-phenyl-1,4-thiazine
SMILESC1=CN(c2ccccc2)C=CS1
InChIInChI=1S/C10H9NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
InChIKeyRNGNLIBVQNTJCA-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1,3,2-dithiazole
CID 90302713
1,1-bis(5-methylheptan-3-yl)-4-phenylpyrazin-1-ium
CID 69457872
4-phenyl-1,2,4-dithiazolidine
CID 101427405
2,3-diphenyloxadiaziridine
CID 67418852
N-benzyl-1-(4-phenyl-1,4-thiazin-3-yl)methanimine
CID 719932
3-methyl-1-phenyl-2H-tetrazole
CID 86154353
2-hydroxy-1-phenyl-3H-pyrazole
CID 171854962
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
6-methyl-4-phenyl-1H-1,4-diazepin-7-one
CID 57151115
4-fluoro-2-phenyl-1,2-benzothiazol-3-one
CID 22416227
dibenzothiophene;9-phenylcarbazole
CID 142415981
1-(4-bromophenyl)-2-(1-phenyl-4H-pyridin-4-yl)ethanone
CID 23271876

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4-thiazine?
The IUPAC name of 4-phenyl-1,4-thiazine (CID 57200323) is 4-phenyl-1,4-thiazine.
What is the SMILES notation for 4-phenyl-1,4-thiazine?
The canonical SMILES for 4-phenyl-1,4-thiazine is C1=CN(c2ccccc2)C=CS1.
What is the InChIKey of 4-phenyl-1,4-thiazine?
The InChIKey is RNGNLIBVQNTJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H.
What are the key properties of 4-phenyl-1,4-thiazine?
4-phenyl-1,4-thiazine has a molecular weight of 175.26 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4-thiazine is sourced from PubChem (CID 57200323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).