AG002IZ9

20731-74-2 | Thiophene, 3-(methylthio)-

AG002IZ9

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CAS Number	20731-74-2
Catalog Number	AG002IZ9(AGN-PC-0JS93N)
Chemical Name	Thiophene, 3-(methylthio)-
EC Number	606-615-6
IUPAC Name	3-methylsulfanylthiophene
InChI	InChI=1S/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChI Key	OTYBVBDWIKXFDO-UHFFFAOYSA-N
MDL Number	MFCD00068009
Molecular Formula	C5H6S2
Molecular Weight	130.2311
SMILES	CSc1cscc1
Synonyms	3-(Methylthio)thiophene, 20731-74-2, Thiophene,3-(methylthio)-, 3-(Methylsulfanyl)thiophene, Thiophene, 3-(methylthio)-, 3-methylthiothiophene, 3-Thienylmethylsulfide, 3-methylsulfanylthiophene, Methyl 3-thienyl sulfide, OTYBVBDWIKXFDO-UHFFFAOYSA-N, Methyl-3-thienylsulfide, AC1LAT4B, 3-(Methylthio)-Thiophene, 3-(Methylthio)thiophene, 9CI, SCHEMBL1146010, CTK4E4964, DTXSID10334146, ZINC161206, KS-00002A6G, ZX-AT005029, MFCD00068009, SBB055747, AKOS025116858, FCH1115893, OR25457, PS-4393, VT20180, ACM20731742, CC-12695, ZB007492, DB-045352, FT-0613815, Z0368, Q-8451, C-01297, I09-3873, InChI=1/C5H6S2/c1-6-5-2-3-7-4-5/h2-4H,1H, C5H6S2, CID519806, ZINC00161206,

Complexity	54
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	129.991g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	130.223g/mol
Monoisotopic Mass	129.991g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number