(7-fluoro-1-methylindol-3-yl)methanethiol

C10H10FNS — CID 117182099

IUPAC(7-fluoro-1-methylindol-3-yl)methanethiol
SMILESCn1cc(CS)c2cccc(F)c21
InChIInChI=1S/C10H10FNS/c1-12-5-7(6-13)8-3-2-4-9(11)10(8)12/h2-5,13H,6H2,1H3
InChIKeyRMQBWKVUXXTQKR-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.75
Rot. Bonds1

About (7-fluoro-1-methylindol-3-yl)methanethiol

(7-fluoro-1-methylindol-3-yl)methanethiol (PubChem CID 117182099) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is (7-fluoro-1-methylindol-3-yl)methanethiol.

Molecular Properties

Compound Name(7-fluoro-1-methylindol-3-yl)methanethiol
PubChem CID117182099
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name(7-fluoro-1-methylindol-3-yl)methanethiol
SMILESCn1cc(CS)c2cccc(F)c21
InChIInChI=1S/C10H10FNS/c1-12-5-7(6-13)8-3-2-4-9(11)10(8)12/h2-5,13H,6H2,1H3
InChIKeyRMQBWKVUXXTQKR-UHFFFAOYSA-N
XLogP2.75
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-methylindol-3-yl)methanethiol?
The IUPAC name of (7-fluoro-1-methylindol-3-yl)methanethiol (CID 117182099) is (7-fluoro-1-methylindol-3-yl)methanethiol.
What is the SMILES notation for (7-fluoro-1-methylindol-3-yl)methanethiol?
The canonical SMILES for (7-fluoro-1-methylindol-3-yl)methanethiol is Cn1cc(CS)c2cccc(F)c21.
What is the InChIKey of (7-fluoro-1-methylindol-3-yl)methanethiol?
The InChIKey is RMQBWKVUXXTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-12-5-7(6-13)8-3-2-4-9(11)10(8)12/h2-5,13H,6H2,1H3.
What are the key properties of (7-fluoro-1-methylindol-3-yl)methanethiol?
(7-fluoro-1-methylindol-3-yl)methanethiol has a molecular weight of 195.26 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-methylindol-3-yl)methanethiol is sourced from PubChem (CID 117182099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).