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802311-59-7 | Urea,N-(3-ethyl-2(3H)-thiazolylidene)-N'-2-propen-1-yl-
CAS No: 802311-59-7 Catalog No: AG008N8F MDL No:
Product Description
Catalog Number:
AG008N8F
Chemical Name:
Urea,N-(3-ethyl-2(3H)-thiazolylidene)-N'-2-propen-1-yl-
CAS Number:
802311-59-7
Molecular Formula:
C9H13N3OS
Molecular Weight:
211.2840
IUPAC Name:
(1E)-1-(3-ethyl-1,3-thiazol-2-ylidene)-3-prop-2-enylurea
InChI:
InChI=1S/C9H13N3OS/c1-3-5-10-8(13)11-9-12(4-2)6-7-14-9/h3,6-7H,1,4-5H2,2H3,(H,10,13)/b11-9+
InChI Key:
XDPNQAKHOJPXQW-PKNBQFBNSA-N
SMILES:
C=CCNC(=O)N=c1sccn1CC
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
211.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.283g/mol
Monoisotopic Mass:
211.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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