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68640-86-8 | 3-HYDROXY-2-METHYL-2,7-DIHYDROPYRAZOLO[3,4-D][1,3]THIAZINE-4,6-DITHIONE
CAS No: 68640-86-8 Catalog No: AG006I2J MDL No:
Product Description
Catalog Number:
AG006I2J
Chemical Name:
3-HYDROXY-2-METHYL-2,7-DIHYDROPYRAZOLO[3,4-D][1,3]THIAZINE-4,6-DITHIONE
CAS Number:
68640-86-8
Molecular Formula:
C6H5N3OS3
Molecular Weight:
231.3184
IUPAC Name:
2-methyl-4,6-bis(sulfanylidene)-1,7-dihydropyrazolo[3,4-d][1,3]thiazin-3-one
InChI:
InChI=1S/C6H5N3OS3/c1-9-4(10)2-3(8-9)7-6(12)13-5(2)11/h8H,1H3,(H,7,12)
InChI Key:
HSVDTJMOAYMFJI-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1O)c(=S)sc(=S)[nH]2
NSC Number:
338286
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.306g/mol
Monoisotopic Mass:
230.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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