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827320-18-3 | 3-Butenethioamide, N-[2-(ethenyloxy)ethyl]-
CAS No: 827320-18-3 Catalog No: AG004UXE MDL No:
Product Description
Catalog Number:
AG004UXE
Chemical Name:
3-Butenethioamide, N-[2-(ethenyloxy)ethyl]-
CAS Number:
827320-18-3
Molecular Formula:
C8H13NOS
Molecular Weight:
171.2599
IUPAC Name:
N-(2-ethenoxyethyl)but-3-enethioamide
InChI:
InChI=1S/C8H13NOS/c1-3-5-8(11)9-6-7-10-4-2/h3-4H,1-2,5-7H2,(H,9,11)
InChI Key:
OSMLKRRWEBHFAC-UHFFFAOYSA-N
SMILES:
C=COCCNC(=S)CC=C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.072g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.258g/mol
Monoisotopic Mass:
171.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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