4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile

C8H6N2S3 — CID 102423228

IUPAC4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile
SMILESN#Cc1c2c(c(N)sc1=S)CCS2
InChIInChI=1S/C8H6N2S3/c9-3-5-6-4(1-2-12-6)7(10)13-8(5)11/h1-2,10H2
InChIKeyWQPICVGFDPFTIE-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.58
Rot. Bonds

About 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile

4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile (PubChem CID 102423228) has the molecular formula C8H6N2S3 and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile.

Molecular Properties

Compound Name4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile
PubChem CID102423228
Molecular FormulaC8H6N2S3
Molecular Weight226.35 g/mol
Exact Mass225.97
IUPAC Name4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile
SMILESN#Cc1c2c(c(N)sc1=S)CCS2
InChIInChI=1S/C8H6N2S3/c9-3-5-6-4(1-2-12-6)7(10)13-8(5)11/h1-2,10H2
InChIKeyWQPICVGFDPFTIE-UHFFFAOYSA-N
XLogP2.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ester_A(5)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile?
The IUPAC name of 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile (CID 102423228) is 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile.
What is the SMILES notation for 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile?
The canonical SMILES for 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile is N#Cc1c2c(c(N)sc1=S)CCS2.
What is the InChIKey of 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile?
The InChIKey is WQPICVGFDPFTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S3/c9-3-5-6-4(1-2-12-6)7(10)13-8(5)11/h1-2,10H2.
What are the key properties of 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile?
4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile has a molecular weight of 226.35 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-sulfanylidene-2,3-dihydrothieno[3,2-c]thiopyran-7-carbonitrile is sourced from PubChem (CID 102423228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).