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840519-66-6 | 2-Propanol, 1,3-bis[(2-mercaptoethyl)amino]-
CAS No: 840519-66-6 Catalog No: AG004T7Q MDL No:
Product Description
Catalog Number:
AG004T7Q
Chemical Name:
2-Propanol, 1,3-bis[(2-mercaptoethyl)amino]-
CAS Number:
840519-66-6
Molecular Formula:
C7H18N2OS2
Molecular Weight:
210.3606
IUPAC Name:
1,3-bis(2-sulfanylethylamino)propan-2-ol
InChI:
InChI=1S/C7H18N2OS2/c10-7(5-8-1-3-11)6-9-2-4-12/h7-12H,1-6H2
InChI Key:
OKWABTJLMJPUFM-UHFFFAOYSA-N
SMILES:
SCCNCC(CNCCS)O
Properties
Complexity:
85.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.086g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
210.354g/mol
Monoisotopic Mass:
210.086g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
Literature
| Title | Journal |
|---|---|
| A novel 99mTc-labeled testosterone derivative as a potential agent for targeting androgen receptors. | Bioorganic & medicinal chemistry letters 20061115 |
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