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87188-08-7

87188-08-7 | Carbamodithioic acid, bis(trifluoromethyl)-

CAS No: 87188-08-7 Catalog No: AG004K1Q MDL No:

Product Description

Catalog Number:
AG004K1Q
Chemical Name:
Carbamodithioic acid, bis(trifluoromethyl)-
CAS Number:
87188-08-7
Molecular Formula:
C3HF6NS2
Molecular Weight:
229.1672
IUPAC Name:
bis(trifluoromethyl)carbamodithioic acid
InChI:
InChI=1S/C3HF6NS2/c4-2(5,6)10(1(11)12)3(7,8)9/h(H,11,12)
InChI Key:
JXOYSOLEBIEVOC-UHFFFAOYSA-N
SMILES:
SC(=S)N(C(F)(F)F)C(F)(F)F

Properties

Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.945g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.158g/mol
Monoisotopic Mass:
228.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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