AG003US5

5687-92-3 | Thietane 1,1-Dioxide

AG003US5

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CAS Number	5687-92-3
Catalog Number	AG003US5(AGN-PC-0JNZEG)
Chemical Name	Thietane 1,1-Dioxide
IUPAC Name	thietane 1,1-dioxide
InChI	InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChI Key	FCFMKFHUNDYKEG-UHFFFAOYSA-N
MDL Number	MFCD00088478
Molecular Formula	C3H6O2S
Molecular Weight	106.1435
NSC Number	101885
SMILES	O=[S]1(=O)CCC1
Synonyms	thietane 1,1-dioxide, 5687-92-3, THIETANE-1,1-DIOXIDE, Trimethylene sulfone, thietane1,1-dioxide, thietane, 1,1-dioxide, NSC101885, thietan 1,1-dioxid, AC1L6EFC, AC1Q6YTN, NCIOpen2_001916, SCHEMBL256748, CTK1H2442, 1$l^{6}-thietane-1,1-dione, DTXSID40295433, KS-000017YW, ZINC1674494, ANW-61990, KM0041, MFCD00088478, AKOS015856612, FCH1124174, MCULE-7796411172, NSC-101885, RP08152, AJ-29363, SC-28013, AX8234128, DB-050547, TR-019913, AM20100397, FT-0658288, V6677, 687T923, J-524945, S09-0103, InChI=1/C3H6O2S/c4-6(5)2-1-3-6/h1-3H, C3H6O2S, AR-1L6741, CID265652, CB10217, A8127, T2976, 57287-61-3,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	106.009g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	106.139g/mol
Monoisotopic Mass	106.009g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P305+P351+P338-P280
UN Code

Certificate of Analysis

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