amino-(2-ethyl-4-pyridinyl)methanethiol

C8H12N2S — CID 138599340

IUPACamino-(2-ethyl-4-pyridinyl)methanethiol
SMILESCCc1cc(C(N)S)ccn1
InChIInChI=1S/C8H12N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5,8,11H,2,9H2,1H3
InChIKeyXAHWIMINXZUAFN-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.53
Rot. Bonds2

About amino-(2-ethyl-4-pyridinyl)methanethiol

amino-(2-ethyl-4-pyridinyl)methanethiol (PubChem CID 138599340) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is amino-(2-ethyl-4-pyridinyl)methanethiol.

Molecular Properties

Compound Nameamino-(2-ethyl-4-pyridinyl)methanethiol
PubChem CID138599340
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Nameamino-(2-ethyl-4-pyridinyl)methanethiol
SMILESCCc1cc(C(N)S)ccn1
InChIInChI=1S/C8H12N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5,8,11H,2,9H2,1H3
InChIKeyXAHWIMINXZUAFN-UHFFFAOYSA-N
XLogP1.53
TPSA38.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130756
ethane;2-ethyl-4-propan-2-ylpyridine;sulfanol
CID 165130661
2-ethyl-4-(3-methylbutan-2-yl)pyridine
CID 118301752
2-ethylpyridin-4-amine
CID 12015366
1-[2-(aminomethyl)-4-pyridinyl]ethanamine
CID 142264810
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
4-ethoxy-2-ethylpyridine
CID 59520086
1-N-(2-ethyl-4-pyridinyl)propane-1,2-diamine
CID 83828096
2-ethyl-4-(2-methylpropyl)pyridine
CID 90794113
ethane;methyl 2-ethylpyridine-4-carboxylate
CID 144656237
2-(3-methylbutyl)-4-propan-2-ylpyridine
CID 59202153
(4-butan-2-yl-2-pyridinyl)methanol
CID 155375839

Frequently Asked Questions

What is the IUPAC name of amino-(2-ethyl-4-pyridinyl)methanethiol?
The IUPAC name of amino-(2-ethyl-4-pyridinyl)methanethiol (CID 138599340) is amino-(2-ethyl-4-pyridinyl)methanethiol.
What is the SMILES notation for amino-(2-ethyl-4-pyridinyl)methanethiol?
The canonical SMILES for amino-(2-ethyl-4-pyridinyl)methanethiol is CCc1cc(C(N)S)ccn1.
What is the InChIKey of amino-(2-ethyl-4-pyridinyl)methanethiol?
The InChIKey is XAHWIMINXZUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5,8,11H,2,9H2,1H3.
What are the key properties of amino-(2-ethyl-4-pyridinyl)methanethiol?
amino-(2-ethyl-4-pyridinyl)methanethiol has a molecular weight of 168.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(2-ethyl-4-pyridinyl)methanethiol is sourced from PubChem (CID 138599340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).