Home Other Building Blocks 2-Methylbenzyl mercaptan

2-Methylbenzyl mercaptan

CAS No.:
7341-24-4
Catalog Number:
AG003AOE
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
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Product Description
Catalog Number:
AG003AOE
Chemical Name:
2-Methylbenzyl mercaptan
CAS Number:
7341-24-4
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00022074
IUPAC Name:
(2-methylphenyl)methanethiol
InChI:
InChI=1S/C8H10S/c1-7-4-2-3-5-8(7)6-9/h2-5,9H,6H2,1H3
InChI Key:
PJUDFYDAJBQPEA-UHFFFAOYSA-N
SMILES:
SCc1ccccc1C
NSC Number:
148323
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties