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203-42-9 | Diacenaphtho[1,2-b:1',2'-d]thiophene
CAS No: 203-42-9 Catalog No: AG0028MN MDL No:
Product Description
Catalog Number:
AG0028MN
Chemical Name:
Diacenaphtho[1,2-b:1',2'-d]thiophene
CAS Number:
203-42-9
Molecular Formula:
C24H12S
Molecular Weight:
332.4171
IUPAC Name:
14-thiaheptacyclo[14.7.1.14,8.02,15.03,13.020,24.012,25]pentacosa-1(23),2(15),3(13),4,6,8(25),9,11,16,18,20(24),21-dodecaene
InChI:
InChI=1S/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H
InChI Key:
RSYZJSLQEJIVSN-UHFFFAOYSA-N
SMILES:
c1cc2cccc3c2c(c1)c1c2c(sc31)c1c3c2cccc3ccc1
EC Number:
205-904-0
NSC Number:
4725
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.066g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.42g/mol
Monoisotopic Mass:
332.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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