Home Other Building Blocks 4-[(3-METHOXYPHENYL)AMINO]THIANE-4-CARBOXYLICACID

4-[(3-METHOXYPHENYL)AMINO]THIANE-4-CARBOXYLICACID

CAS No.:
1281266-49-6
Catalog Number:
AG01E668
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
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Product Description
Catalog Number:
AG01E668
Chemical Name:
4-[(3-METHOXYPHENYL)AMINO]THIANE-4-CARBOXYLICACID
CAS Number:
1281266-49-6
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
MDL Number:
MFCD16420515
IUPAC Name:
4-(3-methoxyanilino)thiane-4-carboxylic acid
InChI:
InChI=1S/C13H17NO3S/c1-17-11-4-2-3-10(9-11)14-13(12(15)16)5-7-18-8-6-13/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChI Key:
VUCMAFAVWYEOHF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC1(CCSCC1)C(=O)O
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties