ETHYL 2-NITRILO-3-((4-METHYLTHIO(5H-2,3,5-TRIAZOLYL))AMINO)PROP-2-ENOATE
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ETHYL 2-NITRILO-3-((4-METHYLTHIO(5H-2,3,5-TRIAZOLYL))AMINO)PROP-2-ENOATE
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CAS No:
92765-69-0
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Formula:
C9H11N5O2S
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Chemical Name:
ETHYL 2-NITRILO-3-((4-METHYLTHIO(5H-2,3,5-TRIAZOLYL))AMINO)PROP-2-ENOATE
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Synonyms:
ethyl 2-nitrilo-3-((4-methylthio(5H-2,3,5-triazolyl))amino)prop-2-enoate;ZINC6438879;MFCD00170841;AKOS022170595;MS-9865;ethyl (2Z)-2-cyano-3-{[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]amino}prop-2-enoate
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CAS No:
ETHYL 2-NITRILO-3-((4-METHYLTHIO(5H-2,3,5-TRIAZOLYL))AMINO)PROP-2-ENOATE Basic Attributes
253.28
253.063
Computed Properties
Molecular Weight:253.28
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:253.06334578
Monoisotopic Mass:253.06334578
Topological Polar Surface Area:129
Heavy Atom Count:17
Complexity:351
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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ETHYL 2-NITRILO-3-((4-METHYLTHIO(5H-2,3,5-TRIAZOLYL))AMINO)PROP-2-ENOATE
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