AG003TG7

31778-15-1 | Octadecyl 3-Mercaptopropionate

AG003TG7

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CAS Number	31778-15-1
Catalog Number	AG003TG7(AGN-PC-0JPQT9)
Chemical Name	Octadecyl 3-Mercaptopropionate
EC Number	250-801-6
IUPAC Name	octadecyl 3-sulfanylpropanoate
InChI	InChI=1S/C21H42O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-21(22)18-20-24/h24H,2-20H2,1H3
InChI Key	UCUPUEARJPTGKU-UHFFFAOYSA-N
MDL Number	MFCD00046844
Molecular Formula	C21H42O2S
Molecular Weight	358.6220
SMILES	CCCCCCCCCCCCCCCCCCOC(=O)CCS
Synonyms	31778-15-1, Octadecyl 3-mercaptopropionate, Propanoic acid, 3-mercapto-, octadecyl ester, octadecyl 3-mercaptopropanoate, 3-Mercaptopropionic Acid Octadecyl Ester, octadecyl 3-sulfanylpropanoate, EINECS 250-801-6, ACMC-20ak0i, AC1L53LU, Stearyl 3-Mercaptopropionate, AC1Q67G1, Octadecyl 3-mercaotopropianate, SCHEMBL1573528, DTXSID4067646, CTK4G7712, MFCD00046844, AKOS028108647, ZINC100737678, 3-Mercaptopropionic Acid Stearyl Ester, 3-Mercaptopropanoic acid octadecyl ester, TC-165609, FT-0747749, O0362, Propanoic acid,3-mercapto-, octadecyl ester, C-52827, Octadecyl 3-mercaptopropionate (contains ca. 12% Hexadecyl 3-mercaptopropionate), C21H42O2S, AR-1K8827, C21-H42-O2-S, CID169361, Propanoicacid,3-mercapto-,octadecylester, 65934-95-4,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	358.291g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	358.625g/mol
Monoisotopic Mass	358.291g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	9.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H400
Packing Group	Ⅲ
Precautionary statements	P273-P280
UN Code	UN 3077

Certificate of Analysis

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