AG002TDT

26475-62-7 | 4-Thiomorpholineethanol, 1,1-dioxide

AG002TDT

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CAS Number	26475-62-7
Catalog Number	AG002TDT(AGN-PC-03H15M)
Chemical Name	4-Thiomorpholineethanol, 1,1-dioxide
IUPAC Name	2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanol
InChI	InChI=1S/C6H13NO3S/c8-4-1-7-2-5-11(9,10)6-3-7/h8H,1-6H2
InChI Key	GILLKIJFJOBJCD-UHFFFAOYSA-N
MDL Number	MFCD00106415
Molecular Formula	C6H13NO3S
Molecular Weight	179.2373
SMILES	OCCN1CCS(CC1)(=O)=O
Synonyms	26475-62-7, 4-(2-Hydroxyethyl)thiomorpholine 1,1-Dioxide, N-(2-Hydroxyethyl) thiomorpholine 1,1-dioxide, 2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanol, 4-Thiomorpholineethanol, 1,1-dioxide, 4-(2-Hydroxyethyl)thiomorpholine1,1-dioxide, 4-(2-hydroxy ethyl) thiomorpholine 1,1 dioxide, PubChem17442, ACMC-209grp, SCHEMBL898008, CTK4F7958, DTXSID60619238, GILLKIJFJOBJCD-UHFFFAOYSA-N, ZINC2577513, 2-(1,1-Dioxothiomorpholino)ethanol, 4-Thiomorpholineethanol,1,1-dioxide, ANW-26003, CH-135, MFCD00106415, 2-(1,1-dioxidothiomorpholino)ethanol, AKOS009605672, GS-5420, VZ27684, KS-000017L3, 2-(1,1-dioxothiomorpholin-4-yl)ethanol, AJ-42661, AK-49626, BC203817, DB-046964, TC-114748, 4-(2-hydroxyethyl)-1,1-dioxothiomorpholine, FT-0638610, 4-(2-hydroxyethyl)thiomorpholine-1,1-dioxide, 2-(1,1-Dioxo-1-thiomorpholin-4-yl)-ethanol, A818463, 4-(2-hydroxyethyl)-1lambda6-thiomorpholine-1,1-dione, 2-[1,1-bis(oxidanylidene)-1,4-thiazinan-4-yl]ethanol, 4-(2-Hydroxyethyl)-1lambda~6~,4-thiazinane-1,1-dione, C6H13NO3S, ACN-040507, H1140,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.062g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.234g/mol
Monoisotopic Mass	179.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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