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116529-31-8 | 2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide, hydrochloride (1:1)
CAS No: 116529-31-8 Catalog No: AG000CPN MDL No:MFCD11114559
Product Description
Catalog Number:
AG000CPN
Chemical Name:
2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide, hydrochloride (1:1)
CAS Number:
116529-31-8
Molecular Formula:
C5H12ClNO2S
Molecular Weight:
185.6723
MDL Number:
MFCD11114559
IUPAC Name:
1,1-dioxothian-4-amine;hydrochloride
InChI:
InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChI Key:
XUECUYGAJXDZKG-UHFFFAOYSA-N
SMILES:
NC1CCS(=O)(=O)CC1.Cl
NSC Number:
106913
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.028g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.666g/mol
Monoisotopic Mass:
185.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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