CAS
94042-70-3 Purity
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94042-70-3 Purity
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Methyl alpha-mercaptofuran-2-butyrate
CAS
94042-80-5
Catalog Number
ACM94042805
Category
Other Products
Molecular Weight
200.254780 [g/mol]
Molecular Formula
C9H12O3S
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Specification
Synonyms
EINECS 301-746-2, Methyl alpha-mercaptofuran-2-butyrate, 94042-80-5
IUPAC Name
methyl 4-(furan-2-yl)-2-sulfanylbutanoate
SMILES
COC(=O)C(CCC1=CC=CO1)S
InChI Key
RDYFRAQZXXSAPX-UHFFFAOYSA-N
Boiling Point
299.1ºC at 760mmHg
Flash Point
134.7ºC
Density
1.161g/cm³
EC Number
301-746-2
Exact Mass
200.05100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Methyl alpha-mercaptofuran-2-butyrate?
The molecular formula is C9H12O3S.
What is the molecular weight of Methyl alpha-mercaptofuran-2-butyrate?
The molecular weight is 200.26 g/mol.
When was Methyl alpha-mercaptofuran-2-butyrate first created?
It was created on August 20, 2009.
What is the IUPAC name of Methyl alpha-mercaptofuran-2-butyrate?
The IUPAC name is methyl 4-(furan-2-yl)-2-sulfanylbutanoate.
What is the InChIKey of Methyl alpha-mercaptofuran-2-butyrate?
The InChIKey is RDYFRAQZXXSAPX-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Methyl alpha-mercaptofuran-2-butyrate?
The Canonical SMILES is COC(=O)C(CCC1=CC=CO1)S.
What is the CAS number of Methyl alpha-mercaptofuran-2-butyrate?
The CAS number is 94042-80-5.
How many hydrogen bond donor counts does Methyl alpha-mercaptofuran-2-butyrate have?
It has one hydrogen bond donor count.
What is the XLogP3-AA value of Methyl alpha-mercaptofuran-2-butyrate?
The XLogP3-AA value is 1.9.
Is Methyl alpha-mercaptofuran-2-butyrate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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