(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol

C9H11NOS — CID 131036789

IUPAC(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
SMILESN[C@@H]1CCSc2cccc(O)c21
InChIInChI=1S/C9H11NOS/c10-6-4-5-12-8-3-1-2-7(11)9(6)8/h1-3,6,11H,4-5,10H2/t6-/m1/s1
InChIKeyAWJPWXFYVWPJID-ZCFIWIBFSA-N
MW181.26 g/mol
LogP1.89
Rot. Bonds

About (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol

(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol (PubChem CID 131036789) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol.

Molecular Properties

Compound Name(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
PubChem CID131036789
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
SMILESN[C@@H]1CCSc2cccc(O)c21
InChIInChI=1S/C9H11NOS/c10-6-4-5-12-8-3-1-2-7(11)9(6)8/h1-3,6,11H,4-5,10H2/t6-/m1/s1
InChIKeyAWJPWXFYVWPJID-ZCFIWIBFSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
(4S)-5-bromo-3,4-dihydro-2H-thiochromen-4-amine
CID 130625445
(4S)-5-nitro-3,4-dihydro-2H-thiochromen-4-amine
CID 130642913
(8R)-8-amino-5,6,7,8-tetrahydronaphthalen-1-ol
CID 130673743
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843
3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200332
3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200294
2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 117200338
2,3-dihydro-1-benzothiophen-4-ol
CID 12937898
8-aminobicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 105427855
4-amino-3,4-dihydro-2H-thiochromene-8-carboxamide
CID 130044587
3-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]benzene-1,2-diol
CID 61317675

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol?
The IUPAC name of (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol (CID 131036789) is (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol.
What is the SMILES notation for (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol?
The canonical SMILES for (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol is N[C@@H]1CCSc2cccc(O)c21.
What is the InChIKey of (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol?
The InChIKey is AWJPWXFYVWPJID-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H11NOS/c10-6-4-5-12-8-3-1-2-7(11)9(6)8/h1-3,6,11H,4-5,10H2/t6-/m1/s1.
What are the key properties of (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol?
(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol has a molecular weight of 181.26 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol is sourced from PubChem (CID 131036789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).