4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide

C8H9N3S3 — CID 3002240

IUPAC4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide
SMILESNC(=S)CSc1ccnc(C(N)=S)c1
InChIInChI=1S/C8H9N3S3/c9-7(12)4-14-5-1-2-11-6(3-5)8(10)13/h1-3H,4H2,(H2,9,12)(H2,10,13)
InChIKeyIZRSVBGOVLQYIC-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.09
Rot. Bonds4

About 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide

4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide (PubChem CID 3002240) has the molecular formula C8H9N3S3 and a molecular weight of 243.38 g/mol. Its IUPAC name is 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide.

Molecular Properties

Compound Name4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide
PubChem CID3002240
Molecular FormulaC8H9N3S3
Molecular Weight243.38 g/mol
Exact Mass243.00
IUPAC Name4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide
SMILESNC(=S)CSc1ccnc(C(N)=S)c1
InChIInChI=1S/C8H9N3S3/c9-7(12)4-14-5-1-2-11-6(3-5)8(10)13/h1-3H,4H2,(H2,9,12)(H2,10,13)
InChIKeyIZRSVBGOVLQYIC-UHFFFAOYSA-N
XLogP1.09
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide?
The IUPAC name of 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide (CID 3002240) is 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide.
What is the SMILES notation for 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide?
The canonical SMILES for 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide is NC(=S)CSc1ccnc(C(N)=S)c1.
What is the InChIKey of 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide?
The InChIKey is IZRSVBGOVLQYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S3/c9-7(12)4-14-5-1-2-11-6(3-5)8(10)13/h1-3H,4H2,(H2,9,12)(H2,10,13).
What are the key properties of 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide?
4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide has a molecular weight of 243.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-sulfanylideneethyl)sulfanylpyridine-2-carbothioamide is sourced from PubChem (CID 3002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).