Home Other Building Blocks 4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one

4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
136794-22-4
Catalog Number:
AG019ZQQ
Molecular Formula:
C5H7N3OS
Molecular Weight:
157.1936
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Product Description
Catalog Number:
AG019ZQQ
Chemical Name:
4-(prop-2-en-1-yl)-3-sulfanyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
136794-22-4
Molecular Formula:
C5H7N3OS
Molecular Weight:
157.1936
MDL Number:
MFCD08582842
IUPAC Name:
4-prop-2-enyl-5-sulfanylidene-1,2,4-triazolidin-3-one
InChI:
InChI=1S/C5H7N3OS/c1-2-3-8-4(9)6-7-5(8)10/h2H,1,3H2,(H,6,9)(H,7,10)
InChI Key:
JIVXOXSMNILSHD-UHFFFAOYSA-N
SMILES:
Sc1n[nH]c(=O)n1CC=C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.031g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
157.191g/mol
Monoisotopic Mass:
157.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties