(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol

C10H10O2S2 — CID 130914899

IUPAC(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCOc1cc2c(CO)c(S)ccc2s1
InChIInChI=1S/C10H10O2S2/c1-12-10-4-6-7(5-11)8(13)2-3-9(6)14-10/h2-4,11,13H,5H2,1H3
InChIKeyHNGZJSMQHMHOHC-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.69
Rot. Bonds2

About (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol

(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol (PubChem CID 130914899) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
PubChem CID130914899
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol
SMILESCOc1cc2c(CO)c(S)ccc2s1
InChIInChI=1S/C10H10O2S2/c1-12-10-4-6-7(5-11)8(13)2-3-9(6)14-10/h2-4,11,13H,5H2,1H3
InChIKeyHNGZJSMQHMHOHC-UHFFFAOYSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-5-fluoro-2-methoxy-1-benzothiophene
CID 130884114
6,16-dimethoxy-7,17-dithiapentacyclo[11.7.0.03,11.04,8.014,18]icosa-1,3(11),4(8),5,9,12,14(18),15,19-nonaene
CID 58426675
5-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 130857304
(2-amino-5-methoxy-1-benzothiophen-3-yl)methanol
CID 130855217
4-methoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 130821366
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
5-bromo-4-iodo-2-methoxy-1-benzothiophene
CID 130914513
5-iodo-2-methoxy-1-benzothiophen-4-amine
CID 130970049
4-bromo-2-methoxy-5-methylsulfanyl-1-benzothiophene
CID 130885377
4-(bromomethyl)-2-iodo-1-benzothiophene-5-thiol
CID 130792230
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836
4-ethyl-5-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 131014670

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The IUPAC name of (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol (CID 130914899) is (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol.
What is the SMILES notation for (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The canonical SMILES for (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol is COc1cc2c(CO)c(S)ccc2s1.
What is the InChIKey of (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol?
The InChIKey is HNGZJSMQHMHOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-12-10-4-6-7(5-11)8(13)2-3-9(6)14-10/h2-4,11,13H,5H2,1H3.
What are the key properties of (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol?
(2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol has a molecular weight of 226.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-sulfanyl-1-benzothiophen-4-yl)methanol is sourced from PubChem (CID 130914899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).