Home Other Building Blocks 4-[(methylsulfanyl)methyl]aniline

4-[(methylsulfanyl)methyl]aniline

CAS No.:
54293-04-8
Catalog Number:
AG01A9ZS
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
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Product Description
Catalog Number:
AG01A9ZS
Chemical Name:
4-[(methylsulfanyl)methyl]aniline
CAS Number:
54293-04-8
Molecular Formula:
C8H11NS
Molecular Weight:
153.2446
MDL Number:
MFCD12823643
IUPAC Name:
4-(methylsulfanylmethyl)aniline
InChI:
InChI=1S/C8H11NS/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6,9H2,1H3
InChI Key:
VIZLWRXSTIBCDD-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)N
NSC Number:
147342
Properties
Complexity:
87.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.243g/mol
Monoisotopic Mass:
153.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties