2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

C10H8N2S3 — CID 106481644

IUPAC2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(-c2ccsc2)[nH]c2c1CSC2
InChIInChI=1S/C10H8N2S3/c13-10-7-4-15-5-8(7)11-9(12-10)6-1-2-14-3-6/h1-3H,4-5H2,(H,11,12,13)
InChIKeyUKFRRQWURBIZSA-UHFFFAOYSA-N
MW252.39 g/mol
LogP3.61
Rot. Bonds1

About 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione

2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (PubChem CID 106481644) has the molecular formula C10H8N2S3 and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
PubChem CID106481644
Molecular FormulaC10H8N2S3
Molecular Weight252.39 g/mol
Exact Mass251.98
IUPAC Name2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
SMILESS=c1nc(-c2ccsc2)[nH]c2c1CSC2
InChIInChI=1S/C10H8N2S3/c13-10-7-4-15-5-8(7)11-9(12-10)6-1-2-14-3-6/h1-3H,4-5H2,(H,11,12,13)
InChIKeyUKFRRQWURBIZSA-UHFFFAOYSA-N
XLogP3.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(thiophen-2-ylmethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481614
2-(4-chloro-2-methoxyphenyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106820090
2-(ethoxymethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481697
2-[(3,4-dimethylphenyl)methyl]-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481653
6-tert-butyl-2-thiophen-3-yl-1H-pyrimidine-4-thione
CID 106475909
2-(1,4-dithian-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481784
2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941342
2-(2,2,2-trifluoroethyl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481561
2-pyrrolidin-1-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481534
4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
CID 71061934
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477149
2-(3,4-dimethoxyphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477397

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The IUPAC name of 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione (CID 106481644) is 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione.
What is the SMILES notation for 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The canonical SMILES for 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is S=c1nc(-c2ccsc2)[nH]c2c1CSC2.
What is the InChIKey of 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
The InChIKey is UKFRRQWURBIZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2S3/c13-10-7-4-15-5-8(7)11-9(12-10)6-1-2-14-3-6/h1-3H,4-5H2,(H,11,12,13).
What are the key properties of 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione?
2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione has a molecular weight of 252.39 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione is sourced from PubChem (CID 106481644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).