(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol

C9H11NOS — CID 15734022

IUPAC(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol
SMILESN[C@@H]1c2ccccc2SC[C@@H]1O
InChIInChI=1S/C9H11NOS/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9+/m0/s1
InChIKeyAHIGUPQVNBWDLH-IONNQARKSA-N
MW181.26 g/mol
LogP1.15
Rot. Bonds

About (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol

(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol (PubChem CID 15734022) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol
PubChem CID15734022
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol
SMILESN[C@@H]1c2ccccc2SC[C@@H]1O
InChIInChI=1S/C9H11NOS/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9+/m0/s1
InChIKeyAHIGUPQVNBWDLH-IONNQARKSA-N
XLogP1.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol?
The IUPAC name of (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol (CID 15734022) is (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol?
The canonical SMILES for (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol is N[C@@H]1c2ccccc2SC[C@@H]1O.
What is the InChIKey of (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol?
The InChIKey is AHIGUPQVNBWDLH-IONNQARKSA-N. The full InChI is InChI=1S/C9H11NOS/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-4,7,9,11H,5,10H2/t7-,9+/m0/s1.
What are the key properties of (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol?
(3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol has a molecular weight of 181.26 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-3,4-dihydro-2H-thiochromen-3-ol is sourced from PubChem (CID 15734022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).