AG00ACZW

194152-05-1 | tetrahydro-2H-thiopyran-4-ol 1,1-dioxide

AG00ACZW

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CAS Number	194152-05-1
Catalog Number	AG00ACZW(AGN-PC-07HBVU)
Chemical Name	tetrahydro-2H-thiopyran-4-ol 1,1-dioxide
IUPAC Name	1,1-dioxothian-4-ol
InChI	InChI=1S/C5H10O3S/c6-5-1-3-9(7,8)4-2-5/h5-6H,1-4H2
InChI Key	JABSMKPYEZTJTE-UHFFFAOYSA-N
MDL Number	MFCD12152579
Molecular Formula	C5H10O3S
Molecular Weight	150.1961
SMILES	OC1CCS(=O)(=O)CC1
Synonyms	4-Hydroxytetrahydro-2H-thiopyran 1,1-dioxide, 194152-05-1, Tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, 2H-Thiopyran-4-ol, tetrahydro-, 1,1-dioxide, 1,1-dioxo-hexahydro-2H-thiopyran-4-ol, SCHEMBL2878785, CTK8C5062, KS-00000IST, DTXSID90672492, JABSMKPYEZTJTE-UHFFFAOYSA-N, ALBB-012282, 1,1-dioxo-tetrahydrothiopyran-4-ol, ANW-73915, MFCD12152579, STL426865, ZINC37461734, 4-hydroxy-1lambda6-thiane-1,1-dione, AKOS005173677, CS-W005199, DS-2148, MCULE-4666495950, MP-1381, 4-hydroxy-1$l^{6}-thiane-1,1-dione, 4-Hydroxy-1lambda~6~-thiane-1,1-dione, AJ-93945, AK-77776, CJ-19046, DA-18478, AB0066364, TC-162660, 4CH-009546, BB 0261427, FT-0683527, ST24029124, Z4358, I09-2294, tetrahydro-2H-thiopyran-4-ol 1,1-dioxide(SALTDATA, C5H10O3S, 1,1-Dioxohexahydrothiopyran-4-ol,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	150.035g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	150.192g/mol
Monoisotopic Mass	150.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

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

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