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109-57-9

109-57-9 | N-Allylthiourea

CAS No: 109-57-9 Catalog No: AG003NQL MDL No:MFCD00004940

Product Description

Catalog Number:
AG003NQL
Chemical Name:
N-Allylthiourea
CAS Number:
109-57-9
Molecular Formula:
C4H8N2S
Molecular Weight:
116.1847
MDL Number:
MFCD00004940
IUPAC Name:
prop-2-enylthiourea
InChI:
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChI Key:
HTKFORQRBXIQHD-UHFFFAOYSA-N
SMILES:
NC(=S)NCC=C
EC Number:
203-683-5
UNII:
706IDJ14B7
UN Number:
2811

Properties

Complexity:
79.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.041g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
116.182g/mol
Monoisotopic Mass:
116.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

Literature

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