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137552-55-7 | Phosphine, tris[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS No: 137552-55-7 Catalog No: AG0013JQ MDL No:
Product Description
Catalog Number:
AG0013JQ
Chemical Name:
Phosphine, tris[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-
CAS Number:
137552-55-7
Molecular Formula:
C18H9PS12
Molecular Weight:
641.0178
IUPAC Name:
tris[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]phosphane
InChI:
InChI=1S/C18H9PS12/c1-2-21-13(20-1)16-26-7-10(29-16)19(11-8-27-17(30-11)14-22-3-4-23-14)12-9-28-18(31-12)15-24-5-6-25-15/h1-9H
InChI Key:
KITOHLONNFHILD-UHFFFAOYSA-N
SMILES:
C1=CSC(=C2SC=C(S2)P(C2=CSC(=C3SC=CS3)S2)C2=CSC(=C3SC=CS3)S2)S1
Properties
Complexity:
935
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
639.709g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
640.964g/mol
Monoisotopic Mass:
639.709g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
304A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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