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20295-59-4 | Ethanethiol, 2-[[3-(diethylamino)propyl]amino]-
CAS No: 20295-59-4 Catalog No: AG0028KZ MDL No:
Product Description
Catalog Number:
AG0028KZ
Chemical Name:
Ethanethiol, 2-[[3-(diethylamino)propyl]amino]-
CAS Number:
20295-59-4
Molecular Formula:
C9H22N2S
Molecular Weight:
190.3494
IUPAC Name:
2-[3-(diethylamino)propylamino]ethanethiol
InChI:
InChI=1S/C9H22N2S/c1-3-11(4-2)8-5-6-10-7-9-12/h10,12H,3-9H2,1-2H3
InChI Key:
IJULKCMXDPHZPY-UHFFFAOYSA-N
SMILES:
SCCNCCCN(CC)CC
NSC Number:
97102
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.15g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.349g/mol
Monoisotopic Mass:
190.15g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
16.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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