AG0016F6

121929-87-1 | (R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone

AG0016F6

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CAS Number	121929-87-1
Catalog Number	AG0016F6(AGN-PC-0O0CKY)
Chemical Name	(R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone
IUPAC Name	1-[(4R)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanone
InChI	InChI=1S/C8H13NOS2/c1-5(2)7-4-12-8(11)9(7)6(3)10/h5,7H,4H2,1-3H3/t7-/m0/s1
InChI Key	CYDMQPSVCPSMSG-ZETCQYMHSA-N
MDL Number	MFCD10570251
Molecular Formula	C8H13NOS2
Molecular Weight	203.3249
SMILES	S=C1N(C(C)=O)[C@H](C(C)C)CS1
Synonyms	121929-87-1, (R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone, (R)-N-ACETYL-4-ISOPROPYLTHIAZOLIDINE-2-THIONE, Ethanone, 1-[(4R)-4-(1-methylethyl)-2-thioxo-3-thiazolidinyl]-, 101979-45-7, SCHEMBL2531684, DTXSID40471715, CYDMQPSVCPSMSG-ZETCQYMHSA-N, MFCD10570251, ZINC34451175, AKOS017342874, AM85301, FCH3480206, QC-8203, AJ-88644, AX8288024, CS-0047161, FT-0688887, 3-Acetyl-4alpha-isopropylthiazolidine-2-thione, (R)-1-(4-Isopropyl-2-thioxothiazolidin-3-yl)ethan-1-one, (4R)-3-ACETYL-4-ISOPROPYL-1,3-THIAZOLIDINE-2-THIONE, CID11745744, 1-(4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl)ethanone,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	203.044g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.318g/mol
Monoisotopic Mass	203.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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