Benzene, 1-ethynyl-2-(methylthio)- (9CI)
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Benzene, 1-ethynyl-2-(methylthio)- (9CI)
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CAS No:
78905-08-5
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Formula:
C9H8S
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Chemical Name:
Benzene, 1-ethynyl-2-(methylthio)- (9CI)
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Synonyms:
1-Ethynyl-2-(methylsulfanyl)benzene;Benzene, 1-ethynyl-2-(methylthio)-;Benzene,1-ethynyl-2-(methylthio)-;1-ethynyl-2-methylsulfanylbenzene;2-ethynylthioanisole;SCHEMBL21160593;CTK5E6208;1-Ethynyl-2-(methylthio)benzene;DTXSID90343519;ZINC32189405
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:148.23
XLogP3:2.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:148.03467143
Monoisotopic Mass:148.03467143
Topological Polar Surface Area:25.3
Heavy Atom Count:10
Complexity:142
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzene, 1-ethynyl-2-(methylthio)- (9CI)
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