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Home > Other Heterocycles > 1823877-89-9
1823877-89-9 | 3-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HY+
CAS No: 1823877-89-9 Catalog No: AG01AT0R MDL No:MFCD26793130
Product Description
Catalog Number:
AG01AT0R
Chemical Name:
3-[(5-METHYL-1,3,4-THIADIAZOL-2-YL)SULFANYL]-8-AZABICYCLO[3.2.1]OCTANE HY+
CAS Number:
1823877-89-9
Molecular Formula:
C10H16ClN3S2
Molecular Weight:
277.8371
MDL Number:
MFCD26793130
IUPAC Name:
2-(8-azabicyclo[3.2.1]octan-3-ylsulfanyl)-5-methyl-1,3,4-thiadiazole;hydrochloride
InChI:
InChI=1S/C10H15N3S2.ClH/c1-6-12-13-10(14-6)15-9-4-7-2-3-8(5-9)11-7;/h7-9,11H,2-5H2,1H3;1H
InChI Key:
NDCFOAMAGRKOCB-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)SC1CC2CCC(C1)N2.Cl
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.829g/mol
Monoisotopic Mass:
277.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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