 Home > Encyclopedia > 2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile

2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile

2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile structure

CAS No:
314244-54-7
Formula:
C14H13N3OS2
Chemical Name:
2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile
Synonyms:
{[4-oxo-3-(prop-2-en-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile;314244-54-7;Oprea1_378038;ZINC2181956;STK047087;AKOS001018264;MCULE-6370436554;2-{[12-oxo-11-(prop-2-en-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9-trien-10-yl]sulfanyl}acetonitrile;ST50050415;Z20221710;[(3-ALLYL-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETONITRILE;2-(4-oxo-3-prop-2-enyl-3,5,6,7-tetrahydrocyclopenta[2,1-d]pyrimidino[4,5-b]thi ophen-2-ylthio)ethanenitrile

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2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile Basic Attributes

Molecular Weight：

303.4 g/mol

Exact Mass：

303.05000439 g/mol

Characteristics

PSA：

110 Å²

Computed Properties

Molecular Weight:303.4
XLogP3:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:303.05000439
Monoisotopic Mass:303.05000439
Topological Polar Surface Area:110
Heavy Atom Count:20
Complexity:510
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(12-oxo-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetonitrile

Basic Attributes
Characteristics
Computed Properties

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