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3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-[13C3]

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General Information
Catalog: BLP-012175
CAS: 1185040-73-6
Molecular Formula: C5[13C]3H11N5S2
Molecular Weight: 244.31

Chemical Structure

Synonyms	3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3
IUPAC Name	2-[4-(2-cyanoethylsulfanylmethyl)-(2,4-13C2)1,3-thiazol-2-yl](13C)guanidine
Related CAS	76823-93-3 (unlabelled)
Isomeric SMILES	C1=[13C](N=[13C](S1)N=[13C](N)N)CSCCC#N
Canonical SMILES	C1=C(N=C(S1)N=C(N)N)CSCCC#N
InChI	InChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)/i6+1,7+1,8+1
InChI Key	FSKYYRZENXOYAP-TTXLGWKISA-N
Purity	95% atom 13C
Density	1.5±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Methanol
Appearance	White Solid
Storage	Store at -20°C