Name: Name:1,3,5-Triazine-2(1H)-thione, 6-phenyl-
Brand: AABLOCKS
SKU: AA000064
Rating: 90 (10 reviews)

Catalog No.:AA000064

1000018-63-2 | 1,3,5-Triazine-2(1H)-thione, 6-phenyl-

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1 week

$173.00

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Technical Information
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Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA000064

Chemical Name:

1,3,5-Triazine-2(1H)-thione, 6-phenyl-

CAS Number:

1000018-63-2

Molecular Formula:

C9H7N3S

Molecular Weight:

189.2370

MDL Number:

MFCD09702439

IUPAC Name:

6-phenyl-1H-1,3,5-triazine-2-thione

InChI:

InChI=1S/C9H7N3S/c13-9-11-6-10-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11,12,13)

InChI Key:

HZDDITRJLSQBSK-UHFFFAOYSA-N

SMILES:

S=c1ncnc([nH]1)c1ccccc1

Properties

Computed Properties

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

189.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

189.236g/mol

Monoisotopic Mass:

189.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Synonyms

4-Phenyl-1,3,5-triazine-2-thiol

1000018-63-2

7045AC

FCH921767

MFCD09702439

OR7661

SBB056176

ZINC16124896

AKOS006345499

2-Mercapto-4-phenyl-1,3,5-triazine

AS-5391

TR-072156

4-Phenyl-[1,3,5]triazine-2-thiol

C9H7N3S

4-Phenyl[1,3,5]triazine-2-thiol

SCHEMBL10380137

SCHEMBL19053839

CTK8A8517

CTK8F6254

KS-00003H0J

ZX-AT003432

Literature

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