AG000UAC

13031-76-0 | Thiophene-3-ol, tetrahydro-, 1,1-dioxide

AG000UAC

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CAS Number	13031-76-0
Catalog Number	AG000UAC(AGN-PC-00ZL2G)
Chemical Name	Thiophene-3-ol, tetrahydro-, 1,1-dioxide
IUPAC Name	1,1-dioxothiolan-3-ol
InChI	InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
InChI Key	AMXKVIWWXBYXRS-UHFFFAOYSA-N
MDL Number	MFCD00154867
Molecular Formula	C4H8O3S
Molecular Weight	136.1695
NSC Number	147314
SMILES	O=S1(CC(O)CC1)=O
Synonyms	13031-76-0, 3-Hydroxysulfolane, Sulfolan-3-ol, 3-Oxysulfolan, Sulfonan-3-ol, 1,1-dioxothiolan-3-ol, Tetrahydrothiophene-3-ol 1,1-dioxide, 3-HYDROXYTETRAHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE, 3-hydroxytetrahydrothiophene 1,1-dioxide, Thiophene-3-ol, tetrahydro-, 1,1-dioxide, 1,1-dioxo-3-thiolanol, NSC 147314, BRN 0002351, AI3-34690, 3-hydroxy-1$l^{6}-thiolane-1,1-dione, 3-hydroxythiolane-1,1-dione, NSC147314, AC1Q7AQB, AC1L40IZ, 5-17-03-00066 (Beilstein Handbook Reference), 3-Hydroxythiolane 1,1-dioxide, SCHEMBL1195382, 3-Hydroxytetrahydro-1H-1lambda~6~-thiophene-1,1-dione, CHEMBL3544507, CTK8A0621, AMXKVIWWXBYXRS-UHFFFAOYSA-N, ALBB-027898, ZERO/001774, 1,1-bis(oxidanylidene)thiolan-3-ol, BBL028289, MFCD00154867, SBB001886, STK776259, tetrahydrothiophene-3-ol-1,1-dioxide, 3-hydroxy-1|E6-thiolane-1,1-dione, AKOS000269555, AKOS016039473, 3-hydroxy-1lambda-thiolane-1,1-dione, MCULE-3784616685, NSC-147314, TRA0064370, 3-hydroxy-1lambda6-thiolane-1,1-dione, 3-Hydroxytetrahydrothiophene1,1-dioxide, Tetrahydro-3-thiophenol 1,1-dioxide #, 3-thiopheneol, tetrahydro-, 1,1-dioxide, AS-47620, SC-48890, DB-006470, LS-153152, ST4104989, 3-HYDROXY-1??-THIOLANE-1,1-DIONE, 3-Hydroxytetrahydro-1H-thiophene-1,1-dione, FT-0600569, EN300-59616, K-4050, A806066, 3-Hydroxytetrahydro-1H-1lambda6-thiophene-1,1-dion, Z57161902, F1294-0029, 3-hydroxy-1, Thiophene-3-ol, 1,1-dioxide, C4-H8-O3-S, CID98932, 103-70-8, 122-66-7,

Complexity	164
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.019g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	136.165g/mol
Monoisotopic Mass	136.019g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	62.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

Lot Number