Home Aminos 3-amino-1??-thiane-1,1-dione hydrochloride

3-amino-1??-thiane-1,1-dione hydrochloride

CAS No.:
76943-07-2
Catalog Number:
AG018S88
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.2113
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Product Description
Catalog Number:
AG018S88
Chemical Name:
3-amino-1??-thiane-1,1-dione hydrochloride
CAS Number:
76943-07-2
Molecular Formula:
C5H11NO2S
Molecular Weight:
149.2113
MDL Number:
MFCD18785479
IUPAC Name:
1,1-dioxothian-3-amine;hydrochloride
InChI:
InChI=1S/C5H11NO2S.ClH/c6-5-2-1-3-9(7,8)4-5;/h5H,1-4,6H2;1H
InChI Key:
PYDWKUAJMGQFMM-UHFFFAOYSA-N
SMILES:
NC1CCCS(=O)(=O)C1
Properties
Complexity:
180  
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:
1  
Undefined Bond Stereocenter Count:
0
Properties