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2059993-76-7 | 3-(2-methoxyethyl)-1,5,3-dithiazepane
CAS No: 2059993-76-7 Catalog No: AG01BVZ1 MDL No:MFCD30476610
Product Description
Catalog Number:
AG01BVZ1
Chemical Name:
3-(2-methoxyethyl)-1,5,3-dithiazepane
CAS Number:
2059993-76-7
Molecular Formula:
C7H15NOS2
Molecular Weight:
193.3301
MDL Number:
MFCD30476610
IUPAC Name:
3-(2-methoxyethyl)-1,5,3-dithiazepane
InChI:
InChI=1S/C7H15NOS2/c1-9-3-2-8-6-10-4-5-11-7-8/h2-7H2,1H3
InChI Key:
GXCKIVXLHXGOFM-UHFFFAOYSA-N
SMILES:
COCCN1CSCCSC1
Properties
Complexity:
94.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.06g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.323g/mol
Monoisotopic Mass:
193.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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