AG002KNZ

210240-20-3 | 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide

AG002KNZ

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CAS Number	210240-20-3
Catalog Number	AG002KNZ(AGN-PC-0JQZ7S)
Chemical Name	4-Aminotetrahydro-2H-thiopyran 1,1-dioxide
IUPAC Name	1,1-dioxothian-4-amine
InChI	InChI=1S/C5H11NO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4,6H2
InChI Key	KZKYCKOUODFYBV-UHFFFAOYSA-N
MDL Number	MFCD09540491
Molecular Formula	C5H11NO2S
Molecular Weight	149.2113
SMILES	NC1CCS(=O)(=O)CC1
Synonyms	210240-20-3, 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide, 1,1-DIOXO-TETRAHYDROTHIOPYRAN-4-AMINE, TETRAHYDRO-2H-THIOPYRAN-4-AMINE 1,1-DIOXIDE, 1,1-dioxothian-4-amine, 1,1-DIOXO-TETRAHYDRO-2H-THIOPYRAN-4-AMINE, (1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINE, 2H-THIOPYRAN-4-AMINE, TETRAHYDRO-, 1,1-DIOXIDE, Tetrahydro-2H-thiopyran-4-amine 1,1-dioxide hydrochloride, AC1L9GEN, SCHEMBL967530, SCHEMBL7247927, CTK4E5684, DTXSID40329247, KZKYCKOUODFYBV-UHFFFAOYSA-N, 4-amino-1lambda-thiane-1,1-dione, ALBB-026942, ZINC1698092, 4-amino-1lambda6-thiane-1,1-dione, ANW-63602, MFCD09540491, STL451592, AKOS000179307, MCULE-1212004808, PB26461, SB20279, KS-0000074V, AJ-30348, AK-79011, BS-13053, SC-94784, 1,1-Dioxotetrahydro-2H-thiopyran-4-amine, AB0081782, ST1271438, TC-152347, 4CH-003305, CS-0012628, FT-0749131, 1,1-Dioxidotetrahydro-2H-thiopyran-4-ylamine, tetrahydro-2H-thiopyran-4-amine-1,1-dioxide, Q-1777, 2H-Thiopyran-4-amine,tetrahydro-, 1,1-dioxide, 240A203, H111656, W-204905, 1,1-Dioxidotetrahydro-2H-thiopyran-4-ylamine, AldrichCPR, 919513-37-4, CID418808, NSC106913, 4-Aminotetrahydro-2H-thiopyran1,1-dioxide, 4-Aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride, 2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide (9CI), 116529-31-8,

Complexity	166
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.051g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	149.208g/mol
Monoisotopic Mass	149.051g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H411
Packing Group	Ⅲ
Precautionary statements	P273-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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