Home Other Building Blocks 4-hydroxybutanethioamide

4-hydroxybutanethioamide

CAS No.:
936850-78-1
Catalog Number:
AG019SEE
Molecular Formula:
C4H9NOS
Molecular Weight:
119.1854
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Product Description
Catalog Number:
AG019SEE
Chemical Name:
4-hydroxybutanethioamide
CAS Number:
936850-78-1
Molecular Formula:
C4H9NOS
Molecular Weight:
119.1854
MDL Number:
MFCD11106306
IUPAC Name:
4-hydroxybutanethioamide
InChI:
InChI=1S/C4H9NOS/c5-4(7)2-1-3-6/h6H,1-3H2,(H2,5,7)
InChI Key:
QWNXPRSJULWBKU-UHFFFAOYSA-N
SMILES:
OCCCC(=S)N
Properties
Complexity:
64.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.04g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
119.182g/mol
Monoisotopic Mass:
119.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties