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21009-58-5 | 3-Thiomorpholinethione
CAS No: 21009-58-5 Catalog No: AG002KKK MDL No:
Product Description
Catalog Number:
AG002KKK
Chemical Name:
3-Thiomorpholinethione
CAS Number:
21009-58-5
Molecular Formula:
C4H7NS2
Molecular Weight:
133.2351
IUPAC Name:
thiomorpholine-3-thione
InChI:
InChI=1S/C4H7NS2/c6-4-3-7-2-1-5-4/h1-3H2,(H,5,6)
InChI Key:
CAQSLXADSMAWHL-UHFFFAOYSA-N
SMILES:
S=C1CSCCN1
Properties
Complexity:
81.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.002g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.227g/mol
Monoisotopic Mass:
133.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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