(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol

C10H11NO2S — CID 130788624

IUPAC(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol
SMILESCOc1cc2ccc(N)c(CO)c2s1
InChIInChI=1S/C10H11NO2S/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4,12H,5,11H2,1H3
InChIKeyBRGSLRCXKFBXBT-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.98
Rot. Bonds2

About (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol

(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol (PubChem CID 130788624) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol
PubChem CID130788624
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol
SMILESCOc1cc2ccc(N)c(CO)c2s1
InChIInChI=1S/C10H11NO2S/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4,12H,5,11H2,1H3
InChIKeyBRGSLRCXKFBXBT-UHFFFAOYSA-N
XLogP1.98
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.98
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 (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol?
The IUPAC name of (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol (CID 130788624) is (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol is COc1cc2ccc(N)c(CO)c2s1.
What is the InChIKey of (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol?
The InChIKey is BRGSLRCXKFBXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-13-9-4-6-2-3-8(11)7(5-12)10(6)14-9/h2-4,12H,5,11H2,1H3.
What are the key properties of (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol?
(6-amino-2-methoxy-1-benzothiophen-7-yl)methanol has a molecular weight of 209.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-methoxy-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 130788624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).