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20640-02-2

20640-02-2 | Ethanethiol, 2-[(1,3-dimethylbutyl)amino]-

CAS No: 20640-02-2 Catalog No: AG002IHK MDL No:

Product Description

Catalog Number:
AG002IHK
Chemical Name:
Ethanethiol, 2-[(1,3-dimethylbutyl)amino]-
CAS Number:
20640-02-2
Molecular Formula:
C8H19NS
Molecular Weight:
161.3082
IUPAC Name:
2-(4-methylpentan-2-ylamino)ethanethiol
InChI:
InChI=1S/C8H19NS/c1-7(2)6-8(3)9-4-5-10/h7-10H,4-6H2,1-3H3
InChI Key:
ZKAJEKZZCIABLF-UHFFFAOYSA-N
SMILES:
SCCNC(CC(C)C)C

Properties

Complexity:
73.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.124g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.307g/mol
Monoisotopic Mass:
161.124g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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