AG002RM1

2608-11-9 | azepane; azepane-1-carbodithioic acid

AG002RM1

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CAS Number	2608-11-9
Catalog Number	AG002RM1(AGN-PC-0R20LP)
Chemical Name	azepane; azepane-1-carbodithioic acid
EC Number	220-023-1
IUPAC Name	azepane;azepane-1-carbodithioic acid
InChI	InChI=1S/C7H13NS2.C6H13N/c9-7(10)8-5-3-1-2-4-6-8;1-2-4-6-7-5-3-1/h1-6H2,(H,9,10);7H,1-6H2
InChI Key	CIPHOUPBLAOEKY-UHFFFAOYSA-N
MDL Number	MFCD00036327
Molecular Formula	C13H26N2S2
Molecular Weight	274.4889
SMILES	C1CCCNCC1.SC(=S)N1CCCCCC1
Synonyms	2608-11-9, 1H-Azepine-1-carbodithioic acid, hexahydro-, compd. with hexahydro-1H-azepine (1:1), Hexahydro-1H-azepine-1-carbodithioic acid, compd. with hexahydro-1H-azepine (1:1), AC1L4VWF, AC1Q7EPC, DTXSID5062550, CTK1A4151, EINECS 220-023-1, MFCD00036327, azepane; azepane-1-carbodithioic acid, Hexamethylenedithiocarbamic acid hexamethylene ammonium salt, hexamethylenedithiocarbamic acid-hexamethyleneammonium salt, Hexahydro-1H-azepine-1-dithiocarboxylic acid, compound with hexahydro-1H-azepine (1:1), azepanium azepane-1-carbodithioate, Hexamethyleneammonium Hexamethylenedithiocarbamate, AR-1H7638, CID164998, 6951-12-8,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.154g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	274.485g/mol
Monoisotopic Mass	274.154g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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