AG003EOB

78441-62-0 | 2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethanamine

AG003EOB

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CAS Number	78441-62-0
Catalog Number	AG003EOB(AGN-PC-0NDTLB)
Chemical Name	2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethanamine
EC Number	278-909-9
IUPAC Name	2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine
InChI	InChI=1S/C9H17N3S2/c1-12(2)5-9-11-8(7-14-9)6-13-4-3-10/h7H,3-6,10H2,1-2H3
InChI Key	FDMDNIIUCZHKFE-UHFFFAOYSA-N
MDL Number	MFCD08703310
Molecular Formula	C9H17N3S2
Molecular Weight	231.3814
SMILES	CN(CC1=NC(CSCCN)=CS1)C
Synonyms	78441-62-0, 2-(((2-((Dimethylamino)methyl)thiazol-4-yl)methyl)thio)ethanamine, 2-(Dimethylaminomethyl)-4-(2-aminoethylthiomethyl)thiazole, 2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethanamine, AK115616, W-104281, 2-Thiazolemethanamine, 4-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-, 4-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-2-thiazolemethanamine, EINECS 278-909-9, 2-[2-dimethylaminomethyl-4-thiazolylmethylthio]ethylamine, 2-(2-Dimethylaminomethyl-4-thiazolylmethylthio)ethylamine, 2-Thiazolemethanamine, 4-(((2-aminoethyl)thio)methyl)-N,N-dimethyl-, C9H17N3S2, FDMDNIIUCZHKFE-UHFFFAOYSA-N, AC1Q3WOP, SCHEMBL4348396, CTK5E5790, 4-(((2-Aminoethyl)thio)methyl)-N,N-dimethylthiazole-2-methylamine, MFCD08703310, ZINC34586659, AKOS015898888, AN-6705, AJ-89549, AS-14394, K988, AB0014473, AX8022609, FT-0653456, ST24038914, M-1817, A839421, I14-0508, 2-dimethylaminomethyl-4-(2-aminoethyl)thiomethylthiazole, 4-(2-Aminoethyl)thiomethyl-2-dimethylaminomethylthiazole, 2-[(2-dimethylaminomethyl-4-thiazolyl)methylthio]ethylamine, 2-([2-(dimethylaminomethyl)-4-thiazolyl]methylthio)ethylamine, 2-{[2-(dimethylamino)methyl-4-thiazolyl]methylthio}ethylamine, 2-[[2-[(dimethylamino)methyl]-4-thiazolyl]methylthio]ethanamine, 2-[[2-[(dimethylamino)methyl]thiazol-4-yl]methylsulfanyl]ethanamine, 2-Thiazolemethanamine,4-[[(2-aminoethyl)thio]methyl]-N,N-dimethyl-, 2-[[2-(dimethylaminomethyl)-1,3-thiazol-4-yl]methylsulfanyl]ethanamine, C9-H17-N3-S2, CID10977318, 4-(2-aminoethylthiomethyl)-1,3-thiazol-2-ylmethyldimethylamine, 4-[[(2-aminoethyl)thio]methyl]-N,N-dimethylthiazole-2-methylamine, 2-(Dimethylaminomethyl)-4-(2-aminomethylthiomethyl)thiazole trihydrochloride, 82586-74-1,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.086g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.376g/mol
Monoisotopic Mass	231.086g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	95.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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