AG00C3KA

21806-61-1 | Prop-1-ene-1,3-sultone

AG00C3KA

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CAS Number	21806-61-1
Catalog Number	AG00C3KA(AGN-PC-0NCGWD)
Chemical Name	Prop-1-ene-1,3-sultone
EC Number	606-834-7
IUPAC Name	5H-oxathiole 2,2-dioxide
InChI	InChI=1S/C3H4O3S/c4-7(5)3-1-2-6-7/h1,3H,2H2
InChI Key	KLLQVNFCMHPYGL-UHFFFAOYSA-N
MDL Number	MFCD12405143
Molecular Formula	C3H4O3S
Molecular Weight	120.1271
SMILES	O=S1(C=CCO1)=O
Synonyms	Prop-1-ene-1,3-sultone, 21806-61-1, 5H-1,2-Oxathiole 2,2-dioxide, 1-Propene-1,3-sultone, 5H-1,2-Oxathiole, 2,2-dioxide, 5H-oxathiole 2,2-dioxide, 1-Propene 1,3-Sultone, prop-1-ene-1,3 sultone, C3H4O3S, SCHEMBL965026, KS-00000IFX, DTXSID10447528, BCP26289, EBD25294, 5H-1,2lambda-oxathiole-2,2-dione, BBL103386, MFCD12405143, STL557196, ZINC34781165, 5H-1,2lambda6-oxathiole-2,2-dione, AKOS015998600, CS-W003828, GS-0921, LS40134, AJ-90141, AK-41034, CJ-18572, SY029588, AB0023449, 4CH-009266, P2260, ST24031566, W4509, 1-Oxa-2-thia(VI)-3-cyclopentene-2,2-dione, MFCD12405143 (98%), M-9772, 806P611, J-014299, 1,3-Propene sultone, CID10898703, (R)-1-[(SP)-2-[Bis(4-methoxy-3,5-dimethylphenyl)phosphino]ferrocenyl}ethyldi-tert-butylphosphine, 187733-50-2,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	119.988g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.122g/mol
Monoisotopic Mass	119.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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