AG003NPX

2179-59-1 | 1-Allyl-2-propyldisulfane

AG003NPX

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CAS Number	2179-59-1
Catalog Number	AG003NPX(AGN-PC-0JKCZ8)
Chemical Name	1-Allyl-2-propyldisulfane
EC Number	218-550-7
FEMA Number	4073
IUPAC Name	1-(prop-2-enyldisulfanyl)propane
InChI	InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3
InChI Key	FCSSPCOFDUKHPV-UHFFFAOYSA-N
MDL Number	MFCD00040072
Molecular Formula	C6H12S2
Molecular Weight	148.2895
SMILES	CCCSSCC=C
UN Number	1993
UNII	0167D73R1T
Synonyms	allyl propyl disulfide, ALLYL PROPYL DISULFIDE, 2179-59-1, 1-Allyl-2-propyldisulfane, Disulfide, 2-propenyl propyl, 4,5-Dithia-1-octene, Disulfide, allyl propyl, 2-Propenyl propyl disulfide, Allyl propyl disulphide, Propyl 2-propenyl disulfide, APDS, Propyl allyl disulfide, 1-(prop-2-enyldisulfanyl)propane, CCRIS 4571, UNII-0167D73R1T, HSDB 2519, EINECS 218-550-7, 0167D73R1T, BRN 1744005, Q-100270, AllylPropylDisulfide, Allylpropyldisulfid, disulfide,allylpropyl, ACMC-1CEHZ, fema 4073, disulfide,2-propenylpropyl, DSSTox_CID_4448, 1-(allyldisulfanyl)propane, DSSTox_RID_77400, 3-(propyldithio)prop-1-ene, DSSTox_GSID_24448, 3-propyldisulfanylprop-1-ene, AC1L28A3, SCHEMBL1300739, Jsp004432, 3-(propyldisulfanyl)prop-1-ene, CHEMBL3187351, Disulfide,2-propen-1-yl propyl, DTXSID8024448, CTK3J1573, FEMA-4073, C6H12S2, FCSSPCOFDUKHPV-UHFFFAOYSA-N, ZINC2038819, Tox21_202612, ANW-24583, FCH920345, MFCD00040072, AKOS006344180, LS-1011, TRA0024100, NCGC00260160-01, AN-20746, CC-23883, CJ-32179, O398, CAS-2179-59-1, AB1006009, DB-003584, RT-004979, 3-(Propyldisulfanyl)-1-propene, AldrichCPR, FT-0657884, M-3219, 179A591, 2-Propenyl propyl disulphide;4,5-Dithia-1-octene, A815667, C-35036, I09-0163, disulfured inverted exclamation mark allyleetdepropyle, Propenyl propyl disulfide, ONION OIL, CID16591, A1940, 4-01-00-02098 (Beilstein Handbook Reference),

Complexity	52.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.038g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	148.282g/mol
Monoisotopic Mass	148.038g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	50.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H315-H317-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P233-P240-P241+P242+P243-P261-P264-P271-P272-P280-P302+P352+P333+P313+P363-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P233-P405-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number