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98354-47-3 | 1,2,5-dithiazepane
CAS No: 98354-47-3 Catalog No: AG01A0FP MDL No:MFCD19219236
Product Description
Catalog Number:
AG01A0FP
Chemical Name:
1,2,5-dithiazepane
CAS Number:
98354-47-3
Molecular Formula:
C4H9NS2
Molecular Weight:
135.2510
MDL Number:
MFCD19219236
IUPAC Name:
1,2,5-dithiazepane
InChI:
InChI=1S/C4H9NS2/c1-3-6-7-4-2-5-1/h5H,1-4H2
InChI Key:
LQZPWKIAEIOFEI-UHFFFAOYSA-N
SMILES:
N1CCSSCC1
Properties
Complexity:
43
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.018g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.243g/mol
Monoisotopic Mass:
135.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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