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S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate

S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate structure

CAS No:
24168-34-1
Formula:
C10H7N3O3S
Chemical Name:
S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
Synonyms:
MLS002706792;24168-34-1;NSC118349;S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate;CHEMBL1719648;DTXSID40946993;STK970951;ZINC17431012;AKOS002346542;MCULE-4760471751;NSC-118349;SMR001574191;AB00682022-01;1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio-;S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioate;S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate #

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S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate Basic Attributes

Molecular Weight：

249.25 g/mol

Exact Mass：

249.02081227 g/mol

NSC Number：

118349

Characteristics

PSA：

113 Å²

Computed Properties

Molecular Weight:249.25
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:249.02081227
Monoisotopic Mass:249.02081227
Topological Polar Surface Area:113
Heavy Atom Count:17
Complexity:388
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate

Basic Attributes
Characteristics
Computed Properties
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