AG00CKYI

38690-84-5 | 4-Bromotetrahydro-2H-thiopyran 1,1-dioxide

AG00CKYI

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CAS Number	38690-84-5
Catalog Number	AG00CKYI(AGN-PC-0E2YNH)
Chemical Name	4-Bromotetrahydro-2H-thiopyran 1,1-dioxide
IUPAC Name	4-bromothiane 1,1-dioxide
InChI	InChI=1S/C5H9BrO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4H2
InChI Key	OSWSSZXHGBDQIH-UHFFFAOYSA-N
MDL Number	MFCD16045744
Molecular Formula	C5H9BrO2S
Molecular Weight	213.0928
SMILES	BrC(CC1)CCS1(=O)=O
Synonyms	4-Bromotetrahydro-2H-thiopyran 1,1-dioxide, 38690-84-5, 4-Bromo-2H-tetrahydro-thiopyran 1,1-dioxide, 4-bromo-1$l^{6}-thiane-1,1-dione, C5H9BrO2S, SCHEMBL16721362, OSWSSZXHGBDQIH-UHFFFAOYSA-N, 4-bromo-1lambda-thiane-1,1-dione, 2691AJ, 4-bromo-1lambda6-thiane-1,1-dione, ZINC42333115, AKOS010825937, 4-Bromotetrahydrothiopyran 1,1-Dioxide, 4-bromotetrahydro-2h-thiopyran-1,1-dioxide, AJ-104220, CS-0045901, Z-6853,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.951g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.089g/mol
Monoisotopic Mass	211.951g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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

Lot Number