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23353-11-9 | 1,2,5-dithiazepane hydrochloride
CAS No: 23353-11-9 Catalog No: AG01A22B MDL No:MFCD21364925
Product Description
Catalog Number:
AG01A22B
Chemical Name:
1,2,5-dithiazepane hydrochloride
CAS Number:
23353-11-9
Molecular Formula:
C4H10ClNS2
Molecular Weight:
171.7119
MDL Number:
MFCD21364925
IUPAC Name:
1,2,5-dithiazepane;hydrochloride
InChI:
InChI=1S/C4H9NS2.ClH/c1-3-6-7-4-2-5-1;/h5H,1-4H2;1H
InChI Key:
OBFIVQDWXKRXPG-UHFFFAOYSA-N
SMILES:
N1CCSSCC1.Cl
Properties
Complexity:
43
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.994g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
171.701g/mol
Monoisotopic Mass:
170.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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