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5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one

5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one structure

CAS No:
503428-12-4
Formula:
C11H12N2OS2
Chemical Name:
5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Synonyms:
2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;STK615289;STK784155;ZINC18158072;AKOS000281443;AKOS003684465;AKOS005549746;MCULE-6115207868;VU0048221-1;AE-848/15115057;2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one;2-sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-ol;2-thioxo-2,3,6,7,8,9-hexahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one;503428-12-4

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5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one Basic Attributes

Molecular Weight：

252.4 g/mol

Exact Mass：

252.03910536 g/mol

Characteristics

PSA：

102 Å²

XLogP3：

2.9161

Melting Point：

230 - 232 °C (N,N-dimethyl-formamide)

Computed Properties

Molecular Weight:252.4
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:252.03910536
Monoisotopic Mass:252.03910536
Topological Polar Surface Area:102
Heavy Atom Count:16
Complexity:334
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl benzoate; poly methyl acrylate; d glucopyranose; hydrofluoric acid formula; barium bromide; aluminum phosphate formula

Guide of 5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one

Basic Attributes
Characteristics
Computed Properties

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