(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol

C10H11NOS2 — CID 130955447

IUPAC(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1cc(N)c2c(CO)csc2c1
InChIInChI=1S/C10H11NOS2/c1-13-7-2-8(11)10-6(4-12)5-14-9(10)3-7/h2-3,5,12H,4,11H2,1H3
InChIKeyRUJIZESRXSXINZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

About (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol

(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol (PubChem CID 130955447) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
PubChem CID130955447
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1cc(N)c2c(CO)csc2c1
InChIInChI=1S/C10H11NOS2/c1-13-7-2-8(11)10-6(4-12)5-14-9(10)3-7/h2-3,5,12H,4,11H2,1H3
InChIKeyRUJIZESRXSXINZ-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol (CID 130955447) is (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol is CSc1cc(N)c2c(CO)csc2c1.
What is the InChIKey of (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The InChIKey is RUJIZESRXSXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-7-2-8(11)10-6(4-12)5-14-9(10)3-7/h2-3,5,12H,4,11H2,1H3.
What are the key properties of (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol?
(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol has a molecular weight of 225.34 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130955447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).