AG00EGAY

595597-00-5 | Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester

AG00EGAY

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CAS Number	595597-00-5
Catalog Number	AG00EGAY(AGN-PC-035N3D)
Chemical Name	Carbamic acid, (tetrahydro-2h-thiopyran-4-yl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-(thian-4-yl)carbamate
InChI	InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-4-6-14-7-5-8/h8H,4-7H2,1-3H3,(H,11,12)
InChI Key	IRZQBMIZGJSXFN-UHFFFAOYSA-N
MDL Number	MFCD16659876
Molecular Formula	C10H19NO2S
Molecular Weight	217.3284
SMILES	S1CCC(CC1)NC(OC(C)(C)C)=O
Synonyms	595597-00-5, tert-Butyl N-tetrahydrothiopyran-4-ylcarbamate, tert-butyl tetrahydro-2h-thiopyran-4-ylcarbamate, Carbamic acid, (tetrahydro-2H-thiopyran-4-yl)-, 1,1-dimethylethyl ester, tert-butyl N-(thian-4-yl)carbamate, tert-butyl (tetrahydro-2H-thiopyran-4-yl)carbamate, SCHEMBL927559, tert-Butyl thian-4-ylcarbamate, CTK8J5130, DTXSID80610666, IRZQBMIZGJSXFN-UHFFFAOYSA-N, KM0323, MFCD16659876, ZINC39093999, AKOS015950407, RP07309, Carbamic acid, (tetrahydro-2H-thiopyran-4-yl)-, 1,1-dimethylethyl ester (9CI), AS-47710, CJ-19764, DA-42006, FT-0686072, H111659, J-524808, 1,1-dimethylethyl tetrahydro-2H-thiopyran-4-ylcarbamate, 1,1-Dimethylethyl N-[tetrahydro-2H-thiopyran-4-yl]carbamate, (Tetrahydro-2H-thiopyran-4-yl)-carbamic acid 1,1-dimethylethyl ester,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.114g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	217.327g/mol
Monoisotopic Mass	217.114g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precautionary statements

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