(6-amino-1-methylindol-3-yl)methanethiol

C10H12N2S — CID 117178647

IUPAC(6-amino-1-methylindol-3-yl)methanethiol
SMILESCn1cc(CS)c2ccc(N)cc21
InChIInChI=1S/C10H12N2S/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-5,13H,6,11H2,1H3
InChIKeyNZXNOHXGAHNCMO-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.19
Rot. Bonds1

About (6-amino-1-methylindol-3-yl)methanethiol

(6-amino-1-methylindol-3-yl)methanethiol (PubChem CID 117178647) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is (6-amino-1-methylindol-3-yl)methanethiol.

Molecular Properties

Compound Name(6-amino-1-methylindol-3-yl)methanethiol
PubChem CID117178647
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name(6-amino-1-methylindol-3-yl)methanethiol
SMILESCn1cc(CS)c2ccc(N)cc21
InChIInChI=1S/C10H12N2S/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-5,13H,6,11H2,1H3
InChIKeyNZXNOHXGAHNCMO-UHFFFAOYSA-N
XLogP2.19
TPSA30.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.19
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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Related Compounds

3-(fluoromethyl)-1-methylindol-6-amine
CID 84656439
3-(ethylsulfanylmethyl)-1-methylindol-6-amine
CID 117178607
1-methyl-3-(pyrrolidin-1-ylmethyl)indol-6-amine
CID 117178342
1-methyl-3-(2-pyrrolidin-1-ylethyl)indol-6-amine
CID 57421481
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
6-amino-1-methylindole-3-carbonitrile
CID 59335124
1-(6-chloro-1-methylindol-3-yl)-2-methylpropan-2-amine
CID 96900180
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
7-amino-1-methylquinolin-4-one
CID 10329797
(4-amino-2-methylphenyl)methanethiol
CID 117219903
6-bromo-3-ethyl-1-methylindole
CID 115042453
3-(azepan-1-ylmethyl)-1-methylindol-5-amine
CID 68608626

Frequently Asked Questions

What is the IUPAC name of (6-amino-1-methylindol-3-yl)methanethiol?
The IUPAC name of (6-amino-1-methylindol-3-yl)methanethiol (CID 117178647) is (6-amino-1-methylindol-3-yl)methanethiol.
What is the SMILES notation for (6-amino-1-methylindol-3-yl)methanethiol?
The canonical SMILES for (6-amino-1-methylindol-3-yl)methanethiol is Cn1cc(CS)c2ccc(N)cc21.
What is the InChIKey of (6-amino-1-methylindol-3-yl)methanethiol?
The InChIKey is NZXNOHXGAHNCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-5,13H,6,11H2,1H3.
What are the key properties of (6-amino-1-methylindol-3-yl)methanethiol?
(6-amino-1-methylindol-3-yl)methanethiol has a molecular weight of 192.29 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-1-methylindol-3-yl)methanethiol is sourced from PubChem (CID 117178647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).