Home Other Building Blocks 3-{[(2-methoxyethyl)sulfanyl]methyl}aniline

3-{[(2-methoxyethyl)sulfanyl]methyl}aniline

CAS No.:
1154398-94-3
Catalog Number:
AG01AJ42
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
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Product Description
Catalog Number:
AG01AJ42
Chemical Name:
3-{[(2-methoxyethyl)sulfanyl]methyl}aniline
CAS Number:
1154398-94-3
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
MDL Number:
MFCD12172187
IUPAC Name:
3-(2-methoxyethylsulfanylmethyl)aniline
InChI:
InChI=1S/C10H15NOS/c1-12-5-6-13-8-9-3-2-4-10(11)7-9/h2-4,7H,5-6,8,11H2,1H3
InChI Key:
SHIHFYYEXDXVMN-UHFFFAOYSA-N
SMILES:
COCCSCc1cccc(c1)N
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties