AG003BFQ

53402-10-1 | (1R)-(-)-THIOCAMPHOR

AG003BFQ

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CAS Number	53402-10-1
Catalog Number	AG003BFQ(AGN-PC-0OBVWM)
Chemical Name	(1R)-(-)-THIOCAMPHOR
IUPAC Name	(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
InChI	InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChI Key	AAADKYXUTOBAGS-XCBNKYQSSA-N
MDL Number	MFCD00074855
Molecular Formula	C10H16S
Molecular Weight	168.2990
SMILES	CC1(C)[C@@H]2CC[C@@]1(C)C(=S)C2
Synonyms	thiocamphor, thiocamphor, (1R)-(-)-Thiocamphor, (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione, 53402-10-1, Thiocampher, (R)-thiocamphor, AC1LVY61, (1R,4R)-Bornane-6-thione, SCHEMBL20138537, ZINC2028342, MFCD00074855, DB02851, J-502297, (1R,4R)-4,7,7-trimethylbicyclo[2.2.1]heptane-3-thione, (1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptane-2-thione, AldrichCPR, CID1714210, TCM, 7519-74-6,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	168.097g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.298g/mol
Monoisotopic Mass	168.097g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	32.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H228-H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P210-P240-P241-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

Lot Number