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141181-02-4 | 3-Cyclobutene-1,2-dithione, 3,4-bis[methyl[4-(octyloxy)phenyl]amino]-
CAS No: 141181-02-4 Catalog No: AG001G0L MDL No:
Product Description
Catalog Number:
AG001G0L
Chemical Name:
3-Cyclobutene-1,2-dithione, 3,4-bis[methyl[4-(octyloxy)phenyl]amino]-
CAS Number:
141181-02-4
Molecular Formula:
C34H48N2O2S2
Molecular Weight:
580.8871
IUPAC Name:
3,4-bis(N-methyl-4-octoxyanilino)cyclobut-3-ene-1,2-dithione
InChI:
InChI=1S/C34H48N2O2S2/c1-5-7-9-11-13-15-25-37-29-21-17-27(18-22-29)35(3)31-32(34(40)33(31)39)36(4)28-19-23-30(24-20-28)38-26-16-14-12-10-8-6-2/h17-24H,5-16,25-26H2,1-4H3
InChI Key:
YPKNLXYJHAFTSQ-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)N(C1=C(C(=S)C1=S)N(c1ccc(cc1)OCCCCCCCC)C)C
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.316g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
580.89g/mol
Monoisotopic Mass:
580.316g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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