AG003FCO

871-76-1 | 2,2'-Thiodiethanamine

AG003FCO

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CAS Number	871-76-1
Catalog Number	AG003FCO(AGN-PC-0JL9GV)
Chemical Name	2,2'-Thiodiethanamine
EC Number	212-810-3
IUPAC Name	2-(2-aminoethylsulfanyl)ethanamine
InChI	InChI=1S/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2
InChI Key	JONTXEXBTWSUKE-UHFFFAOYSA-N
MDL Number	MFCD00039783
Molecular Formula	C4H12N2S
Molecular Weight	120.2165
NSC Number	203144
SMILES	NCCSCCN
Synonyms	lanthionamine, lanthionamine hydrobromide, lanthionamine hydrochloride, 871-76-1, 2,2'-Thiobis(ethylamine), Lanthionamine, 2,2'-thiodiethanamine, 2,2'-Thiobisethylamine, Ethanamine, 2,2'-thiobis-, 3-Thiacadaverine, Bis(2-aminoethyl) sulfide, 1,7-Diaza-4-thiaheptane, Monoethanolamine sulfide, 2,2'-Thiodiethylamine, 2,2-Thiobis(ethylamine), 2-(2-aminoethylsulfanyl)ethanamine, 1,5-Diamino-3-thiapentane, 2,2'-Thiobis[ethylamine], Bis(beta-aminoethyl)sulfide, Ethylamine, 2,2'-thiobis-, C4H12N2S, beta,beta'-Diaminodiethyl sulfide, EINECS 212-810-3, 2-Aminoethyl Sulfide, NSC 203144, aminoethylthioethylamine, ACMC-209qic, Ethanamine,2'-thiobis-, Ethylamine,2'-thiobis-, AC1L2DCE, Bis-(2-aminoethyl)sulfide, AC1Q7E8N, bis-(beta-aminoethyl)sulfide, SCHEMBL50767, 2,2'-sulfanediyldiethanamine, 2,2'-Diaminodiethyl Sulfide, Bis(.beta.-aminoethyl)sulfide, DTXSID6061232, CTK8B2524, JONTXEXBTWSUKE-UHFFFAOYSA-, JONTXEXBTWSUKE-UHFFFAOYSA-N, ZINC1737510, ANW-38626, MFCD00039783, NSC203144, 2-[(2-aminoethyl)sulfanyl]ethylamine, 2-(2-Amino-ethylsulfanyl)-ethylamine, AKOS000670614, .beta.,.beta.'-Diaminodiethyl sulfide, NSC-203144, RTR-032038, 2-[(2-aminoethyl)sulfanyl]ethan-1-amine, AN-47838, BAS 02988465, K553, TL8005657, FT-0633042, 871T761, I14-19926, InChI=1/C4H12N2S/c5-1-3-7-4-2-6/h1-6H2, C4-H12-N2-S, CID70096, AR-1J3015, T1538, 93407-17-1,

Complexity	28.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.072g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	120.214g/mol
Monoisotopic Mass	120.072g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	77.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
UN Code	UN 1759

Certificate of Analysis

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