CAS
941270-41-3 Purity
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941270-41-3 Purity
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3-(3-Chloro-phenyl)-2-methyl-5-phenylsulfanylmethyl-furan
CAS
941270-45-7
Catalog Number
ACM941270457
Category
Other Products
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- Product Description
- Case Study
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- Custom Q&A
- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C18H15ClOS.
What is the molecular weight of the compound?
The molecular weight of the compound is 314.8 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3-chlorophenyl)-2-methyl-5-(phenylsulfanylmethyl)furan.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C18H15ClOS/c1-13-18(14-6-5-7-15(19)10-14)11-16(20-13)12-21-17-8-3-2-4-9-17/h2-11H,12H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is LATRAAQZZKPZKX-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is CC1=C(C=C(O1)CSC2=CC=CC=C2)C3=CC(=CC=C3)Cl.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 5.7.
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 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
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