CAS
93-03-3 Purity
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93-03-3 Purity
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4-Methylsulfanyl-benzaldehyde oxime
CAS
93033-60-4
Catalog Number
ACM93033604
Category
Other Products
Molecular Weight
167.227
Molecular Formula
C8H9NOS
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Specification
Synonyms
MolPort-002-464-765, ZINC03337437, HMS1729L01, CID6906017, T0518-3082, 93033-60-4
IUPAC Name
(NE)-N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine
Canonical SMILES
CSC1=CC=C(C=C1)C=NO
InChI Key
TVMICSMBUZCYHJ-RMKNXTFCSA-N
Density
1.12g/cm³
Exact Mass
167.04000
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 4-Methylsulfanyl-benzaldehyde oxime?
The molecular formula of 4-Methylsulfanyl-benzaldehyde oxime is C8H9NOS.
What is the molecular weight of 4-Methylsulfanyl-benzaldehyde oxime?
The molecular weight of 4-Methylsulfanyl-benzaldehyde oxime is 167.23 g/mol.
What is the IUPAC Name of 4-Methylsulfanyl-benzaldehyde oxime?
The IUPAC Name of 4-Methylsulfanyl-benzaldehyde oxime is (NE)-N-[(4-methylsulfanylphenyl)methylidene]hydroxylamine.
What is the InChI of 4-Methylsulfanyl-benzaldehyde oxime?
The InChI of 4-Methylsulfanyl-benzaldehyde oxime is InChI=1S/C8H9NOS/c1-11-8-4-2-7(3-5-8)6-9-10/h2-6,10H,1H3/b9-6+.
What is the InChIKey of 4-Methylsulfanyl-benzaldehyde oxime?
The InChIKey of 4-Methylsulfanyl-benzaldehyde oxime is TVMICSMBUZCYHJ-RMKNXTFCSA-N.
What is the canonical SMILES of 4-Methylsulfanyl-benzaldehyde oxime?
The canonical SMILES of 4-Methylsulfanyl-benzaldehyde oxime is CSC1=CC=C(C=C1)C=NO.
What is the isomeric SMILES of 4-Methylsulfanyl-benzaldehyde oxime?
The isomeric SMILES of 4-Methylsulfanyl-benzaldehyde oxime is CSC1=CC=C(C=C1)/C=N/O.
What is the XLogP3 value of 4-Methylsulfanyl-benzaldehyde oxime?
The XLogP3 value of 4-Methylsulfanyl-benzaldehyde oxime is 2.6.
How many hydrogen bond donor counts does 4-Methylsulfanyl-benzaldehyde oxime have?
4-Methylsulfanyl-benzaldehyde oxime has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 4-Methylsulfanyl-benzaldehyde oxime have?
4-Methylsulfanyl-benzaldehyde oxime has 3 hydrogen bond acceptor counts.
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