CAS
95759-51-6 Purity
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95759-51-6 Purity
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1-Thia-5-azaspiro[3.4]octane-6-thione,3-ethoxy-5-methyl-,cis-(9CI)
CAS
95765-66-5
Catalog Number
ACM95765665
Category
Other Products
Molecular Formula
C9H15NOS2
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Specification
Synonyms
1-Thia-5-azaspiro[3.4]octane-6-thione,3-ethoxy-5-methyl-,cis-(9CI)
What is the molecular formula of the compound?
The molecular formula is C9H15NOS2.
What is the IUPAC name of the compound?
The IUPAC name is (3S,4R)-3-ethoxy-8-methyl-1-thia-8-azaspiro[3.4]octane-7-thione.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H15NOS2/c1-3-11-7-6-13-9(7)5-4-8(12)10(9)2/h7H,3-6H2,1-2H3/t7-,9+/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is DPXWAUIOHVRGSE-IONNQARKSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CCOC1CSC12CCC(=S)N2C.
What is the isomeric SMILES of the compound?
The isomeric SMILES is CCO[C@H]1CS[C@]12CCC(=S)N2C.
What is the molecular weight of the compound?
The molecular weight is 217.4 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.1.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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CAS
95772-68-2 Purity
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95772-68-2 Purity
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