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113815-89-7 | Butane, 1,1'-oxybis[1-isothiocyanato- (9CI)
CAS No: 113815-89-7 Catalog No: AG0009SF MDL No:
Product Description
Catalog Number:
AG0009SF
Chemical Name:
Butane, 1,1'-oxybis[1-isothiocyanato- (9CI)
CAS Number:
113815-89-7
Molecular Formula:
C10H16N2OS2
Molecular Weight:
244.3768
IUPAC Name:
1-isothiocyanato-1-(1-isothiocyanatobutoxy)butane
InChI:
InChI=1S/C10H16N2OS2/c1-3-5-9(11-7-14)13-10(6-4-2)12-8-15/h9-10H,3-6H2,1-2H3
InChI Key:
GKWHRVHJXOXJHW-UHFFFAOYSA-N
SMILES:
CCCC(N=C=S)OC(N=C=S)CCC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.371g/mol
Monoisotopic Mass:
244.07g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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