AG003R50

2253-73-8 | Isopropyl isothiocyanate

AG003R50

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CAS Number	2253-73-8
Catalog Number	AG003R50(AGN-PC-0JLP8S)
Chemical Name	Isopropyl isothiocyanate
EC Number	218-851-3
FEMA Number	4425
IUPAC Name	2-isothiocyanatopropane
InChI	InChI=1S/C4H7NS/c1-4(2)5-3-6/h4H,1-2H3
InChI Key	VHBFEIBMZHEWSX-UHFFFAOYSA-N
MDL Number	MFCD00037830
Molecular Formula	C4H7NS
Molecular Weight	101.1701
SMILES	CC(N=C=S)C
UNII	46561PKP9T
Synonyms	isopropyl isothiocyanate, Isopropyl isothiocyanate, 2253-73-8, 2-Isothiocyanatopropane, Isothiocyanic Acid Isopropyl Ester, isopropylisothiocyanate, Propane, 2-isothiocyanato-, Isopropyl mustard oil, UNII-46561PKP9T, MFCD00037830, VHBFEIBMZHEWSX-UHFFFAOYSA-N, 46561PKP9T, propan-2-isothiocyanate, ipncs, isopropyl isothiocya, EINECS 218-851-3, iso-propylisothiocyanate, PubChem16501, 2-isothiocyanato-propane, ACMC-1CMAC, isothiocyanato-2-propane, AC1Q7EUN, 2-Isothiocyanatopropane #, Propane,2-isothiocyanato-, AC1L2OE3, ASISCHEM A85471, KSC497E3B, SCHEMBL213474, Isopropyl isothiocyanate, 97%, CHEMBL2208211, isopropyl isothiocyanate, 95+%, CTK3J7230, FEMA 4425, KS-00000EQF, KS-00001PQM, DTXSID60177045, PROPANE, 2-ISOTHIOCYANATO, OTAVA-BB 1055627, LABOTEST-BB LTBB003773, ZINC1841344, ANW-24911, BBL027932, BDBM50096277, SBB056455, AKOS000101197, AS04387, MCULE-7689456429, TRA0055038, AN-50620, AS-17372, BP-12933, CJ-07112, SC-27133, U797, AB0019471, RT-003649, FT-0627465, I0520, ST51047329, M-3652, J-670002, J-801001, J-802232, S14-0848, InChI=1/C4H7NS/c1-4(2)5-3-6/h4H,1-2H, F0001-0793, 1,6-Diiodohexane, i-Propyl isothiocyanate, Phenylglyoxal monohydrate, C4H7NS, 5-Fluoro-2-chlorobenzoic acid, C4-H7-N-S, CID75263, AR-1E2984, ZINC01841344, 2305-85-3, 36717-27-8,

Complexity	71.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	101.03g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	101.167g/mol
Monoisotopic Mass	101.03g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H301-H313-H315-H319-H225
Packing Group	Ⅱ
Precautionary statements	P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P312-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310+P330-P403+P235-P405
UN Code	UN 1992

Certificate of Analysis

Lot Number