Home Other Building Blocks 5-(Aminomethyl)isothiazol-3(2H)-one

5-(Aminomethyl)isothiazol-3(2H)-one

CAS No.:
62020-54-6
Catalog Number:
AG00EEJD
Molecular Formula:
C4H6N2OS
Molecular Weight:
130.1682
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$179
- +
5mg
≥95%
1 week
United States
$364
- +
10mg
≥95%
1 week
United States
$533
- +
Product Description
Catalog Number:
AG00EEJD
Chemical Name:
5-(Aminomethyl)isothiazol-3(2H)-one
CAS Number:
62020-54-6
Molecular Formula:
C4H6N2OS
Molecular Weight:
130.1682
MDL Number:
MFCD04038805
IUPAC Name:
5-(aminomethyl)-1,2-thiazol-3-one
InChI:
InChI=1S/C4H6N2OS/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
InChI Key:
QVBUOPGWPXUAHT-UHFFFAOYSA-N
SMILES:
NCc1cc(=O)[nH]s1
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.02g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
130.165g/mol
Monoisotopic Mass:
130.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  
Properties