CAS
96081-16-2 Purity
96%
96081-16-2 Purity
96%
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Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate
CAS
96086-52-1
Catalog Number
ACM96086521
Category
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What is the IUPAC name of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The IUPAC name is methyl (3S)-3-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbodithioate.
What is the InChI of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The InChI is InChI=1S/C14H16N2OS2/c1-19-14(18)16-7-13-11(6-9(16)8-17)10-4-2-3-5-12(10)15-13/h2-5,9,15,17H,6-8H2,1H3/t9-/m0/s1.
What is the InChIKey of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The InChIKey is IFUFGCHZTXPRII-VIFPVBQESA-N.
What is the Canonical SMILES of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The Canonical SMILES is CSC(=S)N1CC2=C(CC1CO)C3=CC=CC=C3N2.
How many hydrogen bond donor counts does Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The topological polar surface area is 96.6 Ų.
What is the formal charge of Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate?
The formal charge is 0.
How many defined atom stereocenter counts does Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate have?
It has 1 defined atom stereocenter count.
Is Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate canonicalized?
Yes, the compound is canonicalized.
When was Methyl 1,2,3,4-tetrahydro-3-hydroxymethyl-beta-carboline-2-carbodithioate last modified?
The compound was last modified on 2023-12-30.
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