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

C10H11NOS2 — CID 131076195

IUPAC(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc2cc(N)sc2c1CO
InChIInChI=1S/C10H11NOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5,11H2,1H3
InChIKeyBHAUAZPKRHSSKP-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

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

(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol (PubChem CID 131076195) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol.

Molecular Properties

Compound Name(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
PubChem CID131076195
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
SMILESCSc1ccc2cc(N)sc2c1CO
InChIInChI=1S/C10H11NOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5,11H2,1H3
InChIKeyBHAUAZPKRHSSKP-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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The IUPAC name of (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol (CID 131076195) is (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol.
What is the SMILES notation for (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The canonical SMILES for (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol is CSc1ccc2cc(N)sc2c1CO.
What is the InChIKey of (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
The InChIKey is BHAUAZPKRHSSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-8-3-2-6-4-9(11)14-10(6)7(8)5-12/h2-4,12H,5,11H2,1H3.
What are the key properties of (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol?
(2-amino-6-methylsulfanyl-1-benzothiophen-7-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 (2-amino-6-methylsulfanyl-1-benzothiophen-7-yl)methanol is sourced from PubChem (CID 131076195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).