(6-amino-1-ethylindol-2-yl)methanethiol

C11H14N2S — CID 117180857

IUPAC(6-amino-1-ethylindol-2-yl)methanethiol
SMILESCCn1c(CS)cc2ccc(N)cc21
InChIInChI=1S/C11H14N2S/c1-2-13-10(7-14)5-8-3-4-9(12)6-11(8)13/h3-6,14H,2,7,12H2,1H3
InChIKeyPTBRMLVADDHTKD-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.67
Rot. Bonds2

About (6-amino-1-ethylindol-2-yl)methanethiol

(6-amino-1-ethylindol-2-yl)methanethiol (PubChem CID 117180857) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is (6-amino-1-ethylindol-2-yl)methanethiol.

Molecular Properties

Compound Name(6-amino-1-ethylindol-2-yl)methanethiol
PubChem CID117180857
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name(6-amino-1-ethylindol-2-yl)methanethiol
SMILESCCn1c(CS)cc2ccc(N)cc21
InChIInChI=1S/C11H14N2S/c1-2-13-10(7-14)5-8-3-4-9(12)6-11(8)13/h3-6,14H,2,7,12H2,1H3
InChIKeyPTBRMLVADDHTKD-UHFFFAOYSA-N
XLogP2.67
TPSA30.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-amino-1-ethylindol-2-yl)methanethiol?
The IUPAC name of (6-amino-1-ethylindol-2-yl)methanethiol (CID 117180857) is (6-amino-1-ethylindol-2-yl)methanethiol.
What is the SMILES notation for (6-amino-1-ethylindol-2-yl)methanethiol?
The canonical SMILES for (6-amino-1-ethylindol-2-yl)methanethiol is CCn1c(CS)cc2ccc(N)cc21.
What is the InChIKey of (6-amino-1-ethylindol-2-yl)methanethiol?
The InChIKey is PTBRMLVADDHTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-2-13-10(7-14)5-8-3-4-9(12)6-11(8)13/h3-6,14H,2,7,12H2,1H3.
What are the key properties of (6-amino-1-ethylindol-2-yl)methanethiol?
(6-amino-1-ethylindol-2-yl)methanethiol has a molecular weight of 206.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-ethylindol-2-yl)methanethiol is sourced from PubChem (CID 117180857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).