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114646-19-4 | 2-Butene, 1-(2-propenylthio)-, (E)- (9CI)
CAS No: 114646-19-4 Catalog No: AG000EXB MDL No:
Product Description
Catalog Number:
AG000EXB
Chemical Name:
2-Butene, 1-(2-propenylthio)-, (E)- (9CI)
CAS Number:
114646-19-4
Molecular Formula:
C7H12S
Molecular Weight:
128.2352
IUPAC Name:
1-prop-2-enylsulfanylbut-2-ene
InChI:
InChI=1S/C7H12S/c1-3-5-7-8-6-4-2/h3-5H,2,6-7H2,1H3
InChI Key:
WBNFKMYLDJKXPR-UHFFFAOYSA-N
SMILES:
C=CCSC/C=C/C
Properties
Complexity:
74.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.066g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.233g/mol
Monoisotopic Mass:
128.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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