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S 75

CAT: 0931-T34467-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T34467-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
37764-44-6
Target
Others
Related Pathways
Others
Bioactivity
S 75 is a compound with radiation protective action.
Smiles
Cl.N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2
Molecular Formula
C26H43ClN4S2
Molecular Weight
511.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2'-Dithiobis(N-((1-adamantyl)methyl)acetamidine) dihydrochloride
CAS Number37764-44-6
PubChem CID64319
IUPAC NameN'-(1-adamantylmethyl)-2-[[2-(1-adamantylmethylimino)-2-aminoethyl]disulfanyl]ethanimidamide;dihydrochloride
Molecular FormulaC26H44Cl2N4S2
Molecular Weight547.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity629
SMILES
C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.Cl.Cl
InChI
InChI=1S/C26H42N4S2.2ClH/c27-23(29-15-25-7-17-1-18(8-25)3-19(2-17)9-25)13-31-32-14-24(28)30-16-26-10-20-4-21(11-26)6-22(5-20)12-26;;/h17-22H,1-16H2,(H2,27,29)(H2,28,30);2*1H
InChIKey
BJQWQXYAGVJFKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Dithiobis(N-((1-adamantyl)methyl)acetamidine) dihydrochloride
CAS: 37764-44-6
CID: 64319
Formula: C26H44Cl2N4S2
MW: 547.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass546.2384452
Monoisotopic Mass546.2384452
Topological Polar Surface Area127 Ų
Heavy Atom Count34
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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