2-amino-4-phenyl-1,3-thiazine-6-thione

C10H8N2S2 — CID 717441

IUPAC2-amino-4-phenyl-1,3-thiazine-6-thione
SMILESNc1nc(-c2ccccc2)cc(=S)s1
InChIInChI=1S/C10H8N2S2/c11-10-12-8(6-9(13)14-10)7-4-2-1-3-5-7/h1-6H,(H2,11,12)
InChIKeyPMCYYVHDPYDPOO-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.12
Rot. Bonds1

About 2-amino-4-phenyl-1,3-thiazine-6-thione

2-amino-4-phenyl-1,3-thiazine-6-thione (PubChem CID 717441) has the molecular formula C10H8N2S2 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-4-phenyl-1,3-thiazine-6-thione.

Molecular Properties

Compound Name2-amino-4-phenyl-1,3-thiazine-6-thione
PubChem CID717441
Molecular FormulaC10H8N2S2
Molecular Weight220.32 g/mol
Exact Mass220.01
IUPAC Name2-amino-4-phenyl-1,3-thiazine-6-thione
SMILESNc1nc(-c2ccccc2)cc(=S)s1
InChIInChI=1S/C10H8N2S2/c11-10-12-8(6-9(13)14-10)7-4-2-1-3-5-7/h1-6H,(H2,11,12)
InChIKeyPMCYYVHDPYDPOO-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-1,3-thiazine-6-thione?
The IUPAC name of 2-amino-4-phenyl-1,3-thiazine-6-thione (CID 717441) is 2-amino-4-phenyl-1,3-thiazine-6-thione.
What is the SMILES notation for 2-amino-4-phenyl-1,3-thiazine-6-thione?
The canonical SMILES for 2-amino-4-phenyl-1,3-thiazine-6-thione is Nc1nc(-c2ccccc2)cc(=S)s1.
What is the InChIKey of 2-amino-4-phenyl-1,3-thiazine-6-thione?
The InChIKey is PMCYYVHDPYDPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S2/c11-10-12-8(6-9(13)14-10)7-4-2-1-3-5-7/h1-6H,(H2,11,12).
What are the key properties of 2-amino-4-phenyl-1,3-thiazine-6-thione?
2-amino-4-phenyl-1,3-thiazine-6-thione has a molecular weight of 220.32 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-1,3-thiazine-6-thione is sourced from PubChem (CID 717441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).