AG003S2R

2432-51-1 | Methyl thiobutyrate

AG003S2R

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CAS Number	2432-51-1
Catalog Number	AG003S2R(AGN-PC-0JL50E)
Chemical Name	Methyl thiobutyrate
EC Number	219-407-1
FEMA Number	3310
IUPAC Name	S-methyl butanethioate
InChI	InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
InChI Key	GRLJIIJNZJVMGP-UHFFFAOYSA-N
MDL Number	MFCD00009872
Molecular Formula	C5H10OS
Molecular Weight	118.1973
SMILES	C(=O)(CCC)SC
UNII	2P1E432MYZ
Synonyms	methyl thiolbutyrate, S-Methyl thiobutyrate, S-Methyl butanethioate, 2432-51-1, BUTANETHIOIC ACID, S-METHYL ESTER, Methyl thiolbutyrate, Methanethiol butyrate, s-Methyl thiobutanoate, Methanethiol n-butyrate, Butyric acid, thio-, S-methyl ester, UNII-2P1E432MYZ, Methyl thiobutanoate, Methyl thiobutyrate (natural), FEMA No. 3310, Methane n-thiolbutyrate, EINECS 219-407-1, 1-(methylsulfanyl)butan-1-one, 2P1E432MYZ, Butanethioic acid,S-methyl ester, MFCD00009872, Q-100312, ACMC-209gaw, S-Methyl butanethioate #, S-(methyl thio) butyrate, AC1L1X4T, S-Methyl thiobutanoate, 98%, SCHEMBL722981, DTXSID5047669, Thiobutyric Acid S-Methyl Ester, CHEBI:89255, CTK4F3391, FEMA 3310, GRLJIIJNZJVMGP-UHFFFAOYSA-N, ZINC409240, Methyl thiobutyrate, >=97%, FG, ANW-25398, AKOS015950859, ACM2432511, FCH3464393, Methyl thiobutyrate, natural, 98%, FG, AN-20806, ZB013888, LS-179173, TC-114143, FT-0628812, M1818, 432M511, J-800454, Methyl thiobutyrate, methylthiobutyrate, 1,2,3,6-Tetrahydropyridine, C5-H10-O-S, CID62444, S-Methyl thiobutanoate, 99% - 25G 25g,

Complexity	61.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	118.045g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	118.194g/mol
Monoisotopic Mass	118.045g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P261-P305+P351+P338-P303+P361+P353-P405-P501a
Signal Words	danger
UN Code	UN 1993

Certificate of Analysis

Lot Number