2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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![2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/922c19c891a740f8a432738ca46de5e6.png "2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one")
2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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CAS No:
6130-06-9
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Formula:
C16H17N5OS3
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Chemical Name:
2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
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Synonyms:
CDS1_004940;2-({[4-(prop-2-en-1-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;6130-06-9;CBMicro_036684;Oprea1_032477;DivK1c_005980;DTXSID00364492;ZINC6262120;SBB083853;STL044453;STL079716;AKOS001176978;AKOS005698065;AKOS030660059;MCULE-3471184453;BIM-0036589.P001;2-({[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ol;2-[(4-prop-2-enyl-5-thioxo-1,2,4-triazolin-3-yl)methylthio]-3,5,6,7,8-pentahyd robenzo[b]thiopheno[2,3-d]pyrimidin-4-one;307546-03-8
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CAS No:
2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Basic Attributes
391.5 g/mol
391.05952370 g/mol
DTXSID00364492
Computed Properties
Molecular Weight:391.5
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:391.05952370
Monoisotopic Mass:391.05952370
Topological Polar Surface Area:155
Heavy Atom Count:25
Complexity:664
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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