Home Aminos 3-(butylamino)-1lambda6-thiolane-1,1-dione hydrochloride

3-(butylamino)-1lambda6-thiolane-1,1-dione hydrochloride

CAS No.:
76924-22-6
Catalog Number:
AG00G3X0
Molecular Formula:
C8H18ClNO2S
Molecular Weight:
227.7520
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Product Description
Catalog Number:
AG00G3X0
Chemical Name:
3-(butylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CAS Number:
76924-22-6
Molecular Formula:
C8H18ClNO2S
Molecular Weight:
227.7520
MDL Number:
MFCD00456576
IUPAC Name:
N-butyl-1,1-dioxothiolan-3-amine;hydrochloride
InChI:
InChI=1S/C8H17NO2S.ClH/c1-2-3-5-9-8-4-6-12(10,11)7-8;/h8-9H,2-7H2,1H3;1H
InChI Key:
DJGOZKYERQICPN-UHFFFAOYSA-N
SMILES:
CCCCNC1CCS(=O)(=O)C1.Cl
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.747g/mol
Monoisotopic Mass:
227.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties