2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione

C12H12N2S2 — CID 14000860

IUPAC2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione
SMILESCN(C)c1nc(-c2ccccc2)cc(=S)s1
InChIInChI=1S/C12H12N2S2/c1-14(2)12-13-10(8-11(15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyZMZLEBDKMQAPFP-UHFFFAOYSA-N
MW248.38 g/mol
LogP3.61
Rot. Bonds2

About 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione

2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione (PubChem CID 14000860) has the molecular formula C12H12N2S2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione.

Molecular Properties

Compound Name2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione
PubChem CID14000860
Molecular FormulaC12H12N2S2
Molecular Weight248.38 g/mol
Exact Mass248.04
IUPAC Name2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione
SMILESCN(C)c1nc(-c2ccccc2)cc(=S)s1
InChIInChI=1S/C12H12N2S2/c1-14(2)12-13-10(8-11(15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyZMZLEBDKMQAPFP-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N,N-dimethyl-N'-(C-methylsulfanyl-N-phenylcarbonimidoyl)carbamimidothioate;hydroiodide
CID 360443
N-(4-methylphenyl)-N-(3,4,5-trimethyl-1,3-thiazol-2(3H)-ylidene)amine
CID 823454
3-phenyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
CID 4604177
ST026298
CID 717441
5-benzylimino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide
CID 378508
3H-1,2,4-dithiazol-5-amine, N,N-dimethyl-3-[(phenylmethyl)imino]-
CID 378509
N-(dimethylaminomethylidene)benzenecarbothioamide
CID 2774411
N,N-Dimethyl-N'-[(methylsulfanyl)(phenylimino)methyl](benzylsulfanyl)methanimidamide
CID 360444
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
4-(2-fluorophenyl)-6H-1,3-thiazin-2-amine
CID 175695408
4-(3-fluorophenyl)-6H-1,3-thiazin-2-amine
CID 175695807
4-(4-fluorophenyl)-6H-1,3-thiazin-2-amine
CID 175695864

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione?
The IUPAC name of 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione (CID 14000860) is 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione.
What is the SMILES notation for 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione?
The canonical SMILES for 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione is CN(C)c1nc(-c2ccccc2)cc(=S)s1.
What is the InChIKey of 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione?
The InChIKey is ZMZLEBDKMQAPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S2/c1-14(2)12-13-10(8-11(15)16-12)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione?
2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione has a molecular weight of 248.38 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-phenyl-1,3-thiazine-6-thione is sourced from PubChem (CID 14000860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).