(5-amino-2-sulfanylphenyl)methanol

C7H9NOS — CID 123614701

IUPAC(5-amino-2-sulfanylphenyl)methanol
SMILESNc1ccc(S)c(CO)c1
InChIInChI=1S/C7H9NOS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4,8H2
InChIKeyNQRHIDXIGLXXTK-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.05
Rot. Bonds1

About (5-amino-2-sulfanylphenyl)methanol

(5-amino-2-sulfanylphenyl)methanol (PubChem CID 123614701) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is (5-amino-2-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-amino-2-sulfanylphenyl)methanol
PubChem CID123614701
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name(5-amino-2-sulfanylphenyl)methanol
SMILESNc1ccc(S)c(CO)c1
InChIInChI=1S/C7H9NOS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4,8H2
InChIKeyNQRHIDXIGLXXTK-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-sulfanylphenyl)methanol?
The IUPAC name of (5-amino-2-sulfanylphenyl)methanol (CID 123614701) is (5-amino-2-sulfanylphenyl)methanol.
What is the SMILES notation for (5-amino-2-sulfanylphenyl)methanol?
The canonical SMILES for (5-amino-2-sulfanylphenyl)methanol is Nc1ccc(S)c(CO)c1.
What is the InChIKey of (5-amino-2-sulfanylphenyl)methanol?
The InChIKey is NQRHIDXIGLXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4,8H2.
What are the key properties of (5-amino-2-sulfanylphenyl)methanol?
(5-amino-2-sulfanylphenyl)methanol has a molecular weight of 155.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-sulfanylphenyl)methanol is sourced from PubChem (CID 123614701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).