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87357-13-9 | 3-(1,1-dioxo-1,2-thiazetidin-2-yl)propanenitrile
CAS No: 87357-13-9 Catalog No: AG019UGC MDL No:MFCD11839869
Product Description
Catalog Number:
AG019UGC
Chemical Name:
3-(1,1-dioxo-1,2-thiazetidin-2-yl)propanenitrile
CAS Number:
87357-13-9
Molecular Formula:
C5H8N2O2S
Molecular Weight:
160.1942
MDL Number:
MFCD11839869
IUPAC Name:
3-(1,1-dioxothiazetidin-2-yl)propanenitrile
InChI:
InChI=1S/C5H8N2O2S/c6-2-1-3-7-4-5-10(7,8)9/h1,3-5H2
InChI Key:
RPKXQTIMJZDZCD-UHFFFAOYSA-N
SMILES:
N#CCCN1CCS1(=O)=O
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.191g/mol
Monoisotopic Mass:
160.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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