AG000ICY

1192027-04-5 | ((Dimethylamino-methylidene)amino)-3h-1,2,4-dithiazoline-3-thione

AG000ICY

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CAS Number	1192027-04-5
Catalog Number	AG000ICY(AGN-PC-0WALSQ)
Chemical Name	((Dimethylamino-methylidene)amino)-3h-1,2,4-dithiazoline-3-thione
IUPAC Name	N,N-dimethyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide
InChI	InChI=1S/C5H7N3S3/c1-8(2)3-6-4-7-5(9)11-10-4/h3H,1-2H3
InChI Key	YRDSDHFBUHFDPG-UHFFFAOYSA-N
MDL Number	MFCD19704304
Molecular Formula	C5H7N3S3
Molecular Weight	205.3242
SMILES	CN(C=NC1=NC(SS1)=S)C
Synonyms	1192027-04-5, N,N-Dimethyl-N'-(3-thioxo-3H-1,2,4-dithiazol-5-yl)formimidamide, N,N-dimethyl-N'-(5-sulfanylidene-1,2,4-dithiazol-3-yl)methanimidamide, SCHEMBL2027740, KS-000024YG, AKOS030243379, ZINC117819363, 5-(Dimethylaminomethyleneamino)-3H-1,2,4-dithiazole-3-thione, N,N-Dimethyl-N'-(3-thioxo-3H-1,2,4-dithiazol-5-yl)methanimidamide, YRDSDHFBUHFDPG-UHFFFAOYSA-N, [(Dimethylamino-methylidene)amino]-3H-1,2,4-dithiazoline-3-thione, ((DIMETHYLAMINO-METHYLIDENE)AMINO)-3H-1,2,4-DITHIAZOLINE-3-THIONE,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.98g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.312g/mol
Monoisotopic Mass	204.98g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	111A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	1
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H317-H319
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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