AG003P6K

33522-03-1 | Cyclopentyl isothiocyanate

AG003P6K

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CAS Number	33522-03-1
Catalog Number	AG003P6K(AGN-PC-0JMS83)
Chemical Name	Cyclopentyl isothiocyanate
IUPAC Name	isothiocyanatocyclopentane
InChI	InChI=1S/C6H9NS/c8-5-7-6-3-1-2-4-6/h6H,1-4H2
InChI Key	PJOODZCPFADLCI-UHFFFAOYSA-N
MDL Number	MFCD00040877
Molecular Formula	C6H9NS
Molecular Weight	127.2074
SMILES	C1(CCCC1)N=C=S
Synonyms	Cyclopentyl isothiocyanate, 33522-03-1, Isothiocyanatocyclopentane, CYCLOPENTylisoTHIOCYANATE, Cyclopentane, isothiocyanato-, isothiocyanato-cyclopentane, PJOODZCPFADLCI-UHFFFAOYSA-N, MFCD00040877, cyclopentanisothiocyanate, ACMC-20albz, Isothiocyanatocyclopentane #, AC1L3JT5, AC1Q7EY9, SCHEMBL710256, CTK3J3146, DTXSID20187160, ZINC167186, 0579AE, BBL027955, SBB017610, STL377981, AKOS000211795, Cyclopentyl isothiocyanate, AldrichCPR, MCULE-6629793875, NE30103, RTR-014017, PS-10317, ZB008777, DB-068846, TR-014017, FT-0624268, ST51044465, EN300-43742, A821814, I09-2526, J-019232, C6H9NS, CID141792, ZINC00167186,

Complexity	110
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	127.046g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	127.205g/mol
Monoisotopic Mass	127.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H302-H312-H314-H318-H331
Packing Group	Ⅲ
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	UN 2922

Certificate of Analysis

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