AG00IKIS

614-69-7 | 1-isothiocyanato-2-methylbenzene

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CAS Number	614-69-7
Catalog Number	AG00IKIS(AGN-PC-0JL8V6)
Chemical Name	1-isothiocyanato-2-methylbenzene
EC Number	210-390-6
IUPAC Name	1-isothiocyanato-2-methylbenzene
InChI	InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChI Key	JYKYYPPZLPVIBY-UHFFFAOYSA-N
MDL Number	MFCD00004802
Molecular Formula	C8H7NS
Molecular Weight	149.2129
NSC Number	220230
SMILES	S=C=Nc1ccccc1C
UNII	U0ST94Z07Y
Synonyms	2-tolyl isothiocyanate, o-tolyl isothiocyanate, 614-69-7, 2-Methylphenyl isothiocyanate, o-Tolyl isothiocyanate, 1-Isothiocyanato-2-methylbenzene, 2-Tolyl isothiocyanate, o-tolylisothiocyanate, Benzene, 1-isothiocyanato-2-methyl-, 2-Methylphenylisothiocyanate, 1-isothiocyanato-2-methyl-benzene, UNII-U0ST94Z07Y, o-Tolyl isothiocyanate, 99%, U0ST94Z07Y, Isothiocyanic Acid o-Tolyl Ester, Isothiocyanic acid, o-tolyl ester, JYKYYPPZLPVIBY-UHFFFAOYSA-N, MFCD00004802, 2-methylbenzenisothiocyanate, EINECS 210-390-6, NSC 220230, 2-tolyl-isothiocyanate, PubChem10740, ACMC-209msu, AI3-28259, AC1L2BBV, AC1Q2EQO, AC1Q7EWV, o-Methylphenyl isothiocyanate, SCHEMBL348805, (2-methylphenyl)isothiocyanate, 2-methyl phenyl isothiocyanate, CTK3J3269, JYKYYPPZLPVIBY-UHFFFAOYSA-, DTXSID60210325, ZINC164658, 1-Isothiocyanato-2-methylbenzene #, KS-00000V4G, 6710AE, ANW-33820, NSC220230, SBB006592, STK397870, AKOS000212191, MCULE-5534405816, NSC-220230, RTR-033287, AN-46546, BP-12934, SC-21042, ZB008248, DB-021392, TR-033287, CS-0021826, FT-0612730, I0458, ST50214551, A833242, I09-2521, J-802097, F0001-1620, InChI=1/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3, C8H7NS, 4-Fluorophenyl isothiocyanate, C8-H7-N-S, CID69195, AR-1C4162, o-Tolyl isothiocyanate, 99% - 25G 25g, 6277-86-7,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	149.03g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	149.211g/mol
Monoisotopic Mass	149.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
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