CAS
91587-71-2 Purity
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91587-71-2 Purity
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(3-Aminophenyl)(2-thienyl)methanol
CAS
915882-17-6
Catalog Number
ACM915882176
Category
Other Products
Molecular Weight
205.276140 [g/mol]
Molecular Formula
C11H11NOS
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Specification
Synonyms
(3-AMINOPHENYL)(2-THIENYL)METHANOL, 915882-17-6, Ambcb7529102, CTK5G9857, MolPort-002-254-001, AKOS004119567, AG-H-75863, MCULE-2493494334, KB-207087
IUPAC Name
(3-aminophenyl)-thiophen-2-ylmethanol
Canonical SMILES
C1=CC(=CC(=C1)N)C(C2=CC=CS2)O
InChI Key
PCULMMADXLYFKA-UHFFFAOYSA-N
Boiling Point
409.516ºC at 760 mmHg
Flash Point
201.468ºC
Density
1.292g/cm³
Exact Mass
205.05600
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound with PubChem CID 23009094?
The molecular formula is C11H11NOS.
When was this compound created and last modified in PubChem?
It was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of the compound?
The IUPAC name is (3-aminophenyl)-thiophen-2-ylmethanol.
What is the InChIKey of the compound?
The InChIKey is PCULMMADXLYFKA-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 205.05613515 g/mol.
What is the complexity of the compound?
The complexity is 188.
Does the compound have any defined bond stereocenter counts?
No, the compound has 0 defined bond stereocenter counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.8.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
91587-75-6 Purity
96%
91587-75-6 Purity
96%
