AG002524

17702-11-3 | Propane, 1-isothiocyanato-3-methoxy-

AG002524

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CAS Number	17702-11-3
Catalog Number	AG002524(AGN-PC-0JMR8E)
Chemical Name	Propane, 1-isothiocyanato-3-methoxy-
IUPAC Name	1-isothiocyanato-3-methoxypropane
InChI	InChI=1S/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3
InChI Key	UKVFWFDXYBLOLU-UHFFFAOYSA-N
MDL Number	MFCD00022063
Molecular Formula	C5H9NOS
Molecular Weight	131.1961
SMILES	COCCCN=C=S
Synonyms	3-Methoxypropyl isothiocyanate, 17702-11-3, 1-Isothiocyanato-3-methoxypropane, 3-methoxypropylisothiocyanate, Propane, 1-isothiocyanato-3-methoxy-, UKVFWFDXYBLOLU-UHFFFAOYSA-N, 1-isothiocyanato-3-methoxy-propane, Propane,1-isothiocyanato-3-methoxy-, MFCD00022063, 3-methoxypropanisothiocyanate, AC1L3GLM, ACMC-1BU13, SCHEMBL841893, CTK4D6394, DTXSID50170242, 3-Methoxy-n-propyl isothiocyanate, ZINC2164238, 3-METHOXPROPYL ISOTHIOCYANATE, 1-Isothiocyanato-3-methoxypropane #, BBL027870, SBB085786, STK397318, AKOS000101194, MCULE-6346177825, CJ-33256, DB-044285, TC-169529, FT-0607990, ST50410591, I09-3898, J-802117, 6-Bromo-1-hexanol, CID140274, ZINC02164238,

Complexity	88.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.04g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.193g/mol
Monoisotopic Mass	131.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	53.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H312-H314-H318-H331
Packing Group
Precautionary statements	P210e-P260h-P303+P361+P353-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number