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160314-52-3 | Cyanamide, [3-(dimethoxymethyl)-2-thiazolidinylidene]- (9CI)
CAS No: 160314-52-3 Catalog No: AG001RTQ MDL No:
Product Description
Catalog Number:
AG001RTQ
Chemical Name:
Cyanamide, [3-(dimethoxymethyl)-2-thiazolidinylidene]- (9CI)
CAS Number:
160314-52-3
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
IUPAC Name:
[3-(dimethoxymethyl)-1,3-thiazolidin-2-ylidene]cyanamide
InChI:
InChI=1S/C7H11N3O2S/c1-11-7(12-2)10-3-4-13-6(10)9-5-8/h7H,3-4H2,1-2H3
InChI Key:
LREYROGMECYVRN-UHFFFAOYSA-N
SMILES:
COC(N1CCSC1=NC#N)OC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.244g/mol
Monoisotopic Mass:
201.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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