Home Other Building Blocks 4-methoxyoxane-4-carbothioamide

4-methoxyoxane-4-carbothioamide

CAS No.:
1600267-54-6
Catalog Number:
AG01BE6E
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
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Product Description
Catalog Number:
AG01BE6E
Chemical Name:
4-methoxyoxane-4-carbothioamide
CAS Number:
1600267-54-6
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD28063967
IUPAC Name:
4-methoxyoxane-4-carbothioamide
InChI:
InChI=1S/C7H13NO2S/c1-9-7(6(8)11)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,11)
InChI Key:
CTWGYVSFNXIQQQ-UHFFFAOYSA-N
SMILES:
COC1(CCOCC1)C(=S)N
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties