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3683-47-4 | 3-METHYLISOTHIAZOLE-5-CARBOXALDEHYDE 4-(3-METHOXYPROPYL)THIOSEMICARBAZONE
CAS No: 3683-47-4 Catalog No: AG0077WM MDL No:
Product Description
Catalog Number:
AG0077WM
Chemical Name:
3-METHYLISOTHIAZOLE-5-CARBOXALDEHYDE 4-(3-METHOXYPROPYL)THIOSEMICARBAZONE
CAS Number:
3683-47-4
Molecular Formula:
C10H16N4OS2
Molecular Weight:
272.3902
IUPAC Name:
1-(3-methoxypropyl)-3-[(3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
InChI:
InChI=1S/C10H16N4OS2/c1-8-6-9(17-14-8)7-12-13-10(16)11-4-3-5-15-2/h6-7H,3-5H2,1-2H3,(H2,11,13,16)
InChI Key:
APSDFAIMEGZKTJ-UHFFFAOYSA-N
SMILES:
COCCCNC(=S)NN=Cc1snc(c1)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.385g/mol
Monoisotopic Mass:
272.077g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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