4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine

C12H8N2S4 — CID 145426401

IUPAC4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine
SMILESNc1c(-c2cccs2)sc(-c2cccs2)c1N=S
InChIInChI=1S/C12H8N2S4/c13-9-10(14-15)12(8-4-2-6-17-8)18-11(9)7-3-1-5-16-7/h1-6H,13H2
InChIKeyTXAIMJPNCMTJCW-UHFFFAOYSA-N
MW308.48 g/mol
LogP5.15
Rot. Bonds3

About 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine

4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine (PubChem CID 145426401) has the molecular formula C12H8N2S4 and a molecular weight of 308.48 g/mol. Its IUPAC name is 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine.

Molecular Properties

Compound Name4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine
PubChem CID145426401
Molecular FormulaC12H8N2S4
Molecular Weight308.48 g/mol
Exact Mass307.96
IUPAC Name4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine
SMILESNc1c(-c2cccs2)sc(-c2cccs2)c1N=S
InChIInChI=1S/C12H8N2S4/c13-9-10(14-15)12(8-4-2-6-17-8)18-11(9)7-3-1-5-16-7/h1-6H,13H2
InChIKeyTXAIMJPNCMTJCW-UHFFFAOYSA-N
XLogP5.15
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dithiophen-2-ylthiophene-3,4-dithiol
CID 101208801
2,3-dibromo-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 71722248
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354
3,4-ditert-butyl-2,5-dithiophen-2-ylthiophene
CID 15778420
5,7-dithiophen-2-yl-2,3-dihydrothieno[3,4-b][1,4]dithiine
CID 69411648
2,3-diphenyl-4,5-dithiophen-2-ylthiophene
CID 67533683
3,6-dibromo-2,5-dithiophen-2-ylthieno[3,2-b]thiophene
CID 100972748
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]-5-thiophen-2-ylthiophene-3,4-diamine
CID 145071249
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
2,3-diethoxy-5,7-dithiophen-2-ylthieno[3,4-b]pyrazine
CID 102108621
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410

Frequently Asked Questions

What is the IUPAC name of 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine?
The IUPAC name of 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine (CID 145426401) is 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine.
What is the SMILES notation for 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine?
The canonical SMILES for 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine is Nc1c(-c2cccs2)sc(-c2cccs2)c1N=S.
What is the InChIKey of 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine?
The InChIKey is TXAIMJPNCMTJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2S4/c13-9-10(14-15)12(8-4-2-6-17-8)18-11(9)7-3-1-5-16-7/h1-6H,13H2.
What are the key properties of 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine?
4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine has a molecular weight of 308.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thionitroso-2,5-dithiophen-2-ylthiophen-3-amine is sourced from PubChem (CID 145426401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).