CAS
94266-18-9 Purity
96%
94266-18-9 Purity
96%
![Isopropyl 4,5-dihexyl-6-[10-(1-methylethoxy)-10-oxo-1-decenyl]cyclohex-2-ene-1-octanoate](https://resource.alfa-chemistry.com/structure/94266-26-9.gif)
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Methyl 2-(aminothio)benzoate
CAS
94266-24-7
Catalog Number
ACM94266247
Category
Other Products
Molecular Weight
183.227560 [g/mol]
Molecular Formula
C8H9NO2S
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Specification
Synonyms
ChemDiv2_003448, Methyl 2-(aminothio)benzoate, Oprea1_666564, HMS1378M16, EINECS 304-430-2, CID3024181, EU-0066591, 94266-24-7
IUPAC Name
methyl 2-aminosulfanylbenzoate
Canonical SMILES
COC(=O)C1=CC=CC=C1SN
InChI Key
GEUILTLVJDCUJF-UHFFFAOYSA-N
Boiling Point
319ºC at 760mmHg
Flash Point
146.7ºC
Density
1.27g/cm³
EC Number
304-430-2
Exact Mass
183.03500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Methyl 2-(aminothio)benzoate?
The molecular formula of Methyl 2-(aminothio)benzoate is C8H9NO2S.
When was Methyl 2-(aminothio)benzoate created and modified according to PubChem?
Methyl 2-(aminothio)benzoate was created on 2005-08-08 and modified on 2023-12-30.
What is the IUPAC Name of Methyl 2-(aminothio)benzoate?
The IUPAC Name of Methyl 2-(aminothio)benzoate is methyl 2-aminosulfanylbenzoate.
What is the InChIKey of Methyl 2-(aminothio)benzoate?
The InChIKey of Methyl 2-(aminothio)benzoate is GEUILTLVJDCUJF-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Methyl 2-(aminothio)benzoate have?
Methyl 2-(aminothio)benzoate has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of Methyl 2-(aminothio)benzoate?
The topological polar surface area of Methyl 2-(aminothio)benzoate is 77.6 Ų.
Is Methyl 2-(aminothio)benzoate a canonicalized compound?
Yes, Methyl 2-(aminothio)benzoate is canonicalized.
What is the exact mass of Methyl 2-(aminothio)benzoate?
The exact mass of Methyl 2-(aminothio)benzoate is 183.03539970 g/mol.
How many rotatable bond counts does Methyl 2-(aminothio)benzoate have?
Methyl 2-(aminothio)benzoate has 3 rotatable bond counts.
What is the heavy atom count of Methyl 2-(aminothio)benzoate?
The heavy atom count of Methyl 2-(aminothio)benzoate is 12.
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