AG001DBY

1457-47-2 | 4-Thiazolidinone, 3-(2-propen-1-yl)-2-thioxo-

AG001DBY

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CAS Number	1457-47-2
Catalog Number	AG001DBY(AGN-PC-0JLB7R)
Chemical Name	4-Thiazolidinone, 3-(2-propen-1-yl)-2-thioxo-
EC Number	215-941-4
IUPAC Name	3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI	InChI=1S/C6H7NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2H,1,3-4H2
InChI Key	GYGUTBCTEJBRAN-UHFFFAOYSA-N
MDL Number	MFCD00044700
Molecular Formula	C6H7NOS2
Molecular Weight	173.2559
NSC Number	43395
SMILES	C(C=C)N1C(SCC1=O)=S
Synonyms	3-Allylrhodanine, 1457-47-2, N-Allylrhodanine, Rhodanine, 3-allyl-, Allyl-4-oxo-2-thioxothiazolidin, 4-Thiazolidinone, 3-(2-propenyl)-2-thioxo-, N-ALLYL RHODANINE, NSC43395, 3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one, 3-allyl-2-thioxo-thiazolidin-4-one, 3-Allyl-2-thioxo-1,3-thiazolidin-4-one, 3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one, 3-allyl rhodanine, EINECS 215-941-4, NSC 43395, AC1Q2ACU, 3-Allylrhodanine, 99%, ACMC-1BTY9, AC1L2KL1, AC1Q7F5U, SCHEMBL181568, CTK4C4685, DTXSID60163140, GYGUTBCTEJBRAN-UHFFFAOYSA-N, 3-Allyl-2-thioxo-4-thiazolidinone, 3-Allyl-2-thioxothiazolidin-4-one, ZINC1081247, ANW-20959, BBL023052, MFCD00044700, NSC-43395, STL363690, AKOS000120446, MCULE-5452561380, AN-49238, NS-01424, ZB015903, DB-042808, TC-109704, FT-0614897, ST50308160, T7406, 3-prop-2-enyl-2-thioxo-1,3-thiazolidin-4-one, 4-Thiazolidinone,3-(2-propen-1-yl)-2-thioxo-, 138965-EP2272849A1, 138965-EP2292586A2, SR-01000396030, I09-2056, J-650280, SR-01000396030-1, 3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, Z1250100657, C6H7NOS2, C6-H7-N-O-S2, CID73823, AR-1L3072, A1412, 14800-26-1,

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.997g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	173.248g/mol
Monoisotopic Mass	172.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	77.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number