AG003P56

1122-82-3 | Cyclohexyl isothiocyanate

AG003P56

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CAS Number	1122-82-3
Catalog Number	AG003P56(AGN-PC-0JKBNP)
Chemical Name	Cyclohexyl isothiocyanate
EC Number	214-361-9
IUPAC Name	isothiocyanatocyclohexane
InChI	InChI=1S/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H2
InChI Key	MZSJGCPBOVTKHR-UHFFFAOYSA-N
MDL Number	MFCD00003841
Molecular Formula	C7H11NS
Molecular Weight	141.2339
NSC Number	60129
SMILES	C(=NC1CCCCC1)=S
Synonyms	Cyclohexyl isothiocyanate, 1122-82-3, Cyclohexane, isothiocyanato-, ISOTHIOCYANATOCYCLOHEXANE, Isothiocyanocyclohexane, Cyclohexyl-isothiocyanat, Isothiocyanic acid, cyclohexyl ester, Cyclohexylisothiocyanate, Cyclohexyl isothiocyanate, isothiocyanato-, C7H11NS, Cyclohexyl-isothiocyanat [German], isothiocyanato-cyclohexane, EINECS 214-361-9, NSC 60129, MZSJGCPBOVTKHR-UHFFFAOYSA-N, Isothiocyanic Acid Cyclohexyl Ester, cyclohexanisothiocyanate, Cyclohexyl-isothiocyanat [German], cylcohexyl isothiocyanate, cyclohexane isothiocyanate, AC1Q7EYA, WLN: L6TJ ANCS, 1-isothiocyanatocyclohexane, ACMC-1BOK5, AC1L23IN, SCHEMBL330620, Cyclohexyl isothiocyanate, 98%, DTXSID5061532, KS-00000YVG, ZINC160592, NSC60129, ZERO/008328, 8926AC, ANW-16440, BBL011352, GEO-00873, MFCD00003841, NSC-60129, SBB014110, STL146442, AKOS000120219, MCULE-5106041105, BP-12923, LS-86409, ZB007404, DB-041071, TR-002406, FT-0624205, I0187, ST50214556, Y-8630, J-670005, J-801004, J-802179, I14-21617, F0001-0272, InChI=1/C7H11NS/c9-6-8-7-4-2-1-3-5-7/h7H,1-5H, 4-Aminophenylarsenoxide, 1-Aminopyridinium iodide, Hexamethylcyclotrisilazane, C7-H11-N-S, CID14289, Cyclohexyl isothiocyanate, 98% - 100G 100g,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.061g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.232g/mol
Monoisotopic Mass	141.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H318-H331-H314-H317-H334
Packing Group	Ⅱ
Precautionary statements	P308+P313-P261-P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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