AG00ECOZ

59463-72-8 | 3-Bromothietane 1,1-dioxide

AG00ECOZ

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CAS Number	59463-72-8
Catalog Number	AG00ECOZ(AGN-PC-0JON5Q)
Chemical Name	3-Bromothietane 1,1-dioxide
IUPAC Name	3-bromothietane 1,1-dioxide
InChI	InChI=1S/C3H5BrO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
InChI Key	XSEKMFLQQOEVTJ-UHFFFAOYSA-N
MDL Number	MFCD11870754
Molecular Formula	C3H5BrO2S
Molecular Weight	185.0396
NSC Number	187745
SMILES	BrC1CS(=O)(=O)C1
Synonyms	3-bromothietane 1,1-dioxide, 59463-72-8, 1,1-DIOXIDE-3-BROMOTHIETANE, Thietane, 3-bromo-, 1,1-dioxide, 3-bromothietane1,1-dioxide, NSC187745, ACMC-209mdl, C3H5BrO2S, AC1L70QJ, 3-bromo-thietane 1,1-dioxide, SCHEMBL1770949, CTK5A9994, DTXSID90307111, XSEKMFLQQOEVTJ-UHFFFAOYSA-N, Thietane, 3-bromo-,1,1-dioxide, ZINC1731945, ANW-33271, KM0310, MFCD11870754, 3-bromo-1lambda-thietane-1,1-dione, AKOS015836084, NSC-187745, QC-1382, 3-bromo-1$l^{6}-thietane-1,1-dione, AJ-31238, AK102590, AN-39555, AT-29868, BC005206, SC-27647, AB0008691, DB-050565, TR-020624, AM20100451, BB 0261640, CS-0046198, FT-0682347, 463D728, I09-1617, 3-BROMOTHIETANE 1,1-DIOXIDE (WITH ~10% 3-CHLOROTHIETANE 1,1-DIOXIDE), 1-2 weeks, 3-BROMOTHIETANE-1,1-DIOXIDE, CID302539, A8361,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.919g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	185.035g/mol
Monoisotopic Mass	183.919g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number