AG000VI2

131074-55-0 | Naphthalene, 1-[(1S)-1-isothiocyanatoethyl]-

AG000VI2

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CAS Number	131074-55-0
Catalog Number	AG000VI2(AGN-PC-0O0ZGF)
Chemical Name	Naphthalene, 1-[(1S)-1-isothiocyanatoethyl]-
IUPAC Name	1-[(1S)-1-isothiocyanatoethyl]naphthalene
InChI	InChI=1S/C13H11NS/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3/t10-/m0/s1
InChI Key	PGJWLIIUEIYCSF-JTQLQIEISA-N
MDL Number	MFCD04039333
Molecular Formula	C13H11NS
Molecular Weight	213.2981
SMILES	C[C@H](N=C=S)C1=C2C=CC=CC2=CC=C1
Synonyms	(S)-(+)-1-(1-NAPHTHYL)ETHYL ISOTHIOCYANATE, 131074-55-0, MFCD04039333, SCHEMBL3890926, CTK0H0097, DTXSID70426819, ZINC2525813, (s)-1-(1-naphthyl)-ethyl isothiocyanate, BP-10895, OR322503, RT-015475, Naphthalene, 1-[(1S)-1-isothiocyanatoethyl]-, (S)-(+)-1-(1-Naphthyl)ethylisothiocyanate,97%, I09-4098, ZINC02525812, CID7016324,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	213.061g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.298g/mol
Monoisotopic Mass	213.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H312-H314-H318-H331
Packing Group
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number