AG0012DN

13679-64-6 | Thiophene, 3-ethenyl-

AG0012DN

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CAS Number	13679-64-6
Catalog Number	AG0012DN(AGN-PC-0NCA3S)
Chemical Name	Thiophene, 3-ethenyl-
IUPAC Name	3-ethenylthiophene
InChI	InChI=1S/C6H6S/c1-2-6-3-4-7-5-6/h2-5H,1H2
InChI Key	BOJMHHBWYPDQQH-UHFFFAOYSA-N
MDL Number	MFCD07438049
Molecular Formula	C6H6S
Molecular Weight	110.1768
SMILES	C=CC1=CSC=C1
Synonyms	3-VINYLTHIOPHENE, 13679-64-6, Thiophene, 3-ethenyl-, BOJMHHBWYPDQQH-UHFFFAOYSA-N, 3-ethenylthiophene, 3-vinyl thiophene, Thiophene,3-ethenyl-, SCHEMBL487376, SCHEMBL13123527, CTK0H4278, DTXSID70447084, MFCD07438049, ZINC14983700, AKOS006286336, AJ-66045, PS-11981, FT-0764526, I14-41137, CID10887853,

Complexity	68.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	110.019g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	110.174g/mol
Monoisotopic Mass	110.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
UN Code	UN 1993

Certificate of Analysis

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