AG00GRAV

878671-95-5 | NAPHTHALENE, 1-CYCLOPROPYL-4-ISOTHIOCYANATO-

AG00GRAV

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CAS Number	878671-95-5
Catalog Number	AG00GRAV(AGN-PC-0BEIPY)
Chemical Name	NAPHTHALENE, 1-CYCLOPROPYL-4-ISOTHIOCYANATO-
IUPAC Name	1-cyclopropyl-4-isothiocyanatonaphthalene
InChI	InChI=1S/C14H11NS/c16-9-15-14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14/h1-4,7-8,10H,5-6H2
InChI Key	CCPTWMNSFHCZPB-UHFFFAOYSA-N
MDL Number	MFCD11113208
Molecular Formula	C14H11NS
Molecular Weight	225.3088
SMILES	S=C=NC1=C2C=CC=CC2=C(C3CC3)C=C1
Synonyms	1-cyclopropyl-4-isothiocyanatonaphthalene, 878671-95-5, Naphthalene, 1-cyclopropyl-4-isothiocyanato-, 1-cyclopropyl-4-isothiocyanato Naphthalene, 1-cyclopropyl-4-isothiocyanato-naphthalene, Lesinurad Impurity 17, SCHEMBL248662, CCPTWMNSFHCZPB-UHFFFAOYSA-N, BCP11539, CS-D0226, MFCD11113208, ZINC40435313, AKOS028108229, AC-29321, AS-39931, DB-077122, FT-0733209, NAPHTHALENE,1-CYCLOPROPYL-4-ISOTHIOCYANATO-,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.309g/mol
Monoisotopic Mass	225.061g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H331-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P501-P261-P270-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P405
UN Code	UN 2810

Certificate of Analysis

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