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Home > Sulfanilamide > 1155623-89-4
1155623-89-4 | N-(2-isothiocyanatoethyl)methanesulfonamide
CAS No: 1155623-89-4 Catalog No: AG01A9T5 MDL No:MFCD12135310
Product Description
Catalog Number:
AG01A9T5
Chemical Name:
N-(2-isothiocyanatoethyl)methanesulfonamide
CAS Number:
1155623-89-4
Molecular Formula:
C4H8N2O2S2
Molecular Weight:
180.2485
MDL Number:
MFCD12135310
IUPAC Name:
N-(2-isothiocyanatoethyl)methanesulfonamide
InChI:
InChI=1S/C4H8N2O2S2/c1-10(7,8)6-3-2-5-4-9/h6H,2-3H2,1H3
InChI Key:
AAZVAWKFTJNUEP-UHFFFAOYSA-N
SMILES:
S=C=NCCNS(=O)(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.003g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.24g/mol
Monoisotopic Mass:
180.003g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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