(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol

C10H11NOS2 — CID 130951650

IUPAC(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1cc(N)cc2c(CO)csc12
InChIInChI=1S/C10H11NOS2/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5,12H,4,11H2,1H3
InChIKeyQBABMBDZXULUQB-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.70
Rot. Bonds2

About (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol

(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol (PubChem CID 130951650) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol.

Molecular Properties

Compound Name(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
PubChem CID130951650
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name(5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol
SMILESCSc1cc(N)cc2c(CO)csc12
InChIInChI=1S/C10H11NOS2/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5,12H,4,11H2,1H3
InChIKeyQBABMBDZXULUQB-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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Related Compounds

(6-amino-4-methylsulfanyl-1-benzothiophen-2-yl)methanol
CID 130870472
[7-amino-5-(bromomethyl)-1-benzothiophen-3-yl]methanol
CID 131191545
(6-chloro-3-methylsulfanyl-1-benzothiophen-5-yl)methanol
CID 130988003
3-methyl-7-methylsulfanyl-1-benzothiophen-5-ol
CID 130944026
3-(chloromethyl)-6-methylsulfanyl-1-benzothiophen-7-amine
CID 131138200
(4-amino-6-methylsulfanyl-1-benzothiophen-3-yl)methanol
CID 130955447
(5-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
CID 131123423
(6-amino-7-methylsulfanyl-1-benzothiophen-4-yl)methanol
CID 130987910
(4-methylsulfanyl-3-sulfanyl-1-benzothiophen-7-yl)methanol
CID 130821395
(6-fluoro-7-methyl-1-benzothiophen-3-yl)methanol
CID 131197619
(7-methylsulfanyl-5-sulfanyl-1-benzothiophen-4-yl)methanol
CID 130857326
[2,4-bis(methylsulfanyl)phenyl]methanol
CID 54501035

Frequently Asked Questions

What is the IUPAC name of (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The IUPAC name of (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol (CID 130951650) is (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol.
What is the SMILES notation for (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The canonical SMILES for (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol is CSc1cc(N)cc2c(CO)csc12.
What is the InChIKey of (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol?
The InChIKey is QBABMBDZXULUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-13-9-3-7(11)2-8-6(4-12)5-14-10(8)9/h2-3,5,12H,4,11H2,1H3.
What are the key properties of (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol?
(5-amino-7-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 (5-amino-7-methylsulfanyl-1-benzothiophen-3-yl)methanol is sourced from PubChem (CID 130951650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).