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17901-23-4 | 3-Cyclohexene-1-carboxylic acid, thiodiethylene ester (7CI,8CI)
CAS No: 17901-23-4 Catalog No: AG0026P1 MDL No:
Product Description
Catalog Number:
AG0026P1
Chemical Name:
3-Cyclohexene-1-carboxylic acid, thiodiethylene ester (7CI,8CI)
CAS Number:
17901-23-4
Molecular Formula:
C18H26O4S
Molecular Weight:
338.4616
IUPAC Name:
2-[2-(cyclohex-3-ene-1-carbonyloxy)ethylsulfanyl]ethyl cyclohex-3-ene-1-carboxylate
InChI:
InChI=1S/C18H26O4S/c19-17(15-7-3-1-4-8-15)21-11-13-23-14-12-22-18(20)16-9-5-2-6-10-16/h1-3,5,15-16H,4,6-14H2
InChI Key:
YPMDZJACSWRUEV-UHFFFAOYSA-N
SMILES:
O=C(C1CCC=CC1)OCCSCCOC(=O)C1CCC=CC1
NSC Number:
36611
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.155g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.462g/mol
Monoisotopic Mass:
338.155g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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