AG003UP8

195503-40-3 | Tetrahydro-2H-thiopyran-4-carbonitrile

AG003UP8

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CAS Number	195503-40-3
Catalog Number	AG003UP8(AGN-PC-03DOZ6)
Chemical Name	Tetrahydro-2H-thiopyran-4-carbonitrile
IUPAC Name	thiane-4-carbonitrile
InChI	InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChI Key	DQKVZWAEWJUKAX-UHFFFAOYSA-N
MDL Number	MFCD09025909
Molecular Formula	C6H9NS
Molecular Weight	127.2074
SMILES	N#CC1CCSCC1
Synonyms	195503-40-3, Tetrahydrothiopyran-4-carbonitrile, Tetrahydro-2H-thiopyran-4-carbonitrile, thiane-4-carbonitrile, 2H-Thiopyran-4-carbonitrile,tetrahydro-, 2H-Thiopyran-4-carbonitrile, tetrahydro-, MFCD09025909, SCHEMBL102773, CTK4E1791, DTXSID00616241, DQKVZWAEWJUKAX-UHFFFAOYSA-N, tetrahydro-thiopyran-4-carbonitrile, 0101AB, SBB085693, ZINC12370684, AKOS010828457, PB29580, TRA0052388, KS-0000042M, AJ-61854, CJ-13994, SY019840, TS-01671, AB0061530, DB-065886, RT-015993, CS-0045921, FT-0697923, C-1966, MFCD09025909 (97+%), I14-34665, C6H9NS, tetrahydro-2H-thiopyran-4-carbonitrile, 95% - 1G 1g,

Complexity	107
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.046g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.205g/mol
Monoisotopic Mass	127.046g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H319-H315-H302-H332-H312-H335
Precuationary statements	P261-P302+P352-P280-P305+P351+P338-P304+P340-P301+P312
Siginal words

Certificate of Analysis

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