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1483-41-6 | Ethane, 1-bromo-2-isothiocyanato-
CAS No: 1483-41-6 Catalog No: AG001FM0 MDL No:MFCD00060415
Product Description
Catalog Number:
AG001FM0
Chemical Name:
Ethane, 1-bromo-2-isothiocyanato-
CAS Number:
1483-41-6
Molecular Formula:
C3H4BrNS
Molecular Weight:
166.0396
MDL Number:
MFCD00060415
IUPAC Name:
1-bromo-2-isothiocyanatoethane
InChI:
InChI=1S/C3H4BrNS/c4-1-2-5-3-6/h1-2H2
InChI Key:
SGJVENMTWFTZOJ-UHFFFAOYSA-N
SMILES:
BrCCN=C=S
Properties
Complexity:
67.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.925g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.036g/mol
Monoisotopic Mass:
164.925g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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