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150858-93-8 | 1,3,5-Oxathiazepine-4(5H)-thione, dihydro-2-methyl-
CAS No: 150858-93-8 Catalog No: AG001MW7 MDL No:MFCD02824332
Product Description
Catalog Number:
AG001MW7
Chemical Name:
1,3,5-Oxathiazepine-4(5H)-thione, dihydro-2-methyl-
CAS Number:
150858-93-8
Molecular Formula:
C5H9NOS2
Molecular Weight:
163.2611
MDL Number:
MFCD02824332
IUPAC Name:
2-methyl-1,3,5-oxathiazepane-4-thione
InChI:
InChI=1S/C5H9NOS2/c1-4-7-3-2-6-5(8)9-4/h4H,2-3H2,1H3,(H,6,8)
InChI Key:
GIGCVIISEDVNTQ-UHFFFAOYSA-N
SMILES:
CC1OCCNC(=S)S1
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.013g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.253g/mol
Monoisotopic Mass:
163.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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