4-ethylsulfanylpyridine-2-carbothioamide

C8H10N2S2 — CID 3001425

IUPAC4-ethylsulfanylpyridine-2-carbothioamide
SMILESCCSc1ccnc(C(N)=S)c1
InChIInChI=1S/C8H10N2S2/c1-2-12-6-3-4-10-7(5-6)8(9)11/h3-5H,2H2,1H3,(H2,9,11)
InChIKeyGHZIACKJRCQDIE-UHFFFAOYSA-N
MW198.32 g/mol
LogP1.83
Rot. Bonds3

About 4-ethylsulfanylpyridine-2-carbothioamide

4-ethylsulfanylpyridine-2-carbothioamide (PubChem CID 3001425) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 4-ethylsulfanylpyridine-2-carbothioamide.

Molecular Properties

Compound Name4-ethylsulfanylpyridine-2-carbothioamide
PubChem CID3001425
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name4-ethylsulfanylpyridine-2-carbothioamide
SMILESCCSc1ccnc(C(N)=S)c1
InChIInChI=1S/C8H10N2S2/c1-2-12-6-3-4-10-7(5-6)8(9)11/h3-5H,2H2,1H3,(H2,9,11)
InChIKeyGHZIACKJRCQDIE-UHFFFAOYSA-N
XLogP1.83
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanylpyridine-2-carbothioamide?
The IUPAC name of 4-ethylsulfanylpyridine-2-carbothioamide (CID 3001425) is 4-ethylsulfanylpyridine-2-carbothioamide.
What is the SMILES notation for 4-ethylsulfanylpyridine-2-carbothioamide?
The canonical SMILES for 4-ethylsulfanylpyridine-2-carbothioamide is CCSc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-ethylsulfanylpyridine-2-carbothioamide?
The InChIKey is GHZIACKJRCQDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-2-12-6-3-4-10-7(5-6)8(9)11/h3-5H,2H2,1H3,(H2,9,11).
What are the key properties of 4-ethylsulfanylpyridine-2-carbothioamide?
4-ethylsulfanylpyridine-2-carbothioamide has a molecular weight of 198.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanylpyridine-2-carbothioamide is sourced from PubChem (CID 3001425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).