AG00G1HB

666263-17-8 | (Tetrahydro-2H-thiopyran-4-yl)methanamine

AG00G1HB

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CAS Number	666263-17-8
Catalog Number	AG00G1HB(AGN-PC-03CCI2)
Chemical Name	(Tetrahydro-2H-thiopyran-4-yl)methanamine
IUPAC Name	thian-4-ylmethanamine
InChI	InChI=1S/C6H13NS/c7-5-6-1-3-8-4-2-6/h6H,1-5,7H2
InChI Key	AWCWSADJWHZJOL-UHFFFAOYSA-N
MDL Number	MFCD16045922
Molecular Formula	C6H13NS
Molecular Weight	131.2391
SMILES	NCC1CCSCC1
Synonyms	thian-4-ylmethanamine, 666263-17-8, (tetrahydro-2H-thiopyran-4-yl)methanamine, 1-(Thian-4-yl)methanamine, SCHEMBL103272, DTXSID30615540, AWCWSADJWHZJOL-UHFFFAOYSA-N, Tetrahydrothiopyran-4-ylmethanamine, MFCD16045922, ZINC12370687, AKOS005264677, 2H-Thiopyran-4-methanamine,tetrahydro-, NE57699, PB35740, QC-3081, SB10770, KS-0000042N, AS-51076, CS-0047857, FT-0732375, EN300-76379,

Complexity	59.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.077g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	131.237g/mol
Monoisotopic Mass	131.077g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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