3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione

C8H8N2S3 — CID 18738536

IUPAC3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione
SMILESCc1cc2c(=S)n(C)c(=S)[nH]c2s1
InChIInChI=1S/C8H8N2S3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyCCMXALJADKFUDI-UHFFFAOYSA-N
MW228.37 g/mol
LogP3.34
Rot. Bonds

About 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione

3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione (PubChem CID 18738536) has the molecular formula C8H8N2S3 and a molecular weight of 228.37 g/mol. Its IUPAC name is 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione.

Molecular Properties

Compound Name3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione
PubChem CID18738536
Molecular FormulaC8H8N2S3
Molecular Weight228.37 g/mol
Exact Mass227.98
IUPAC Name3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione
SMILESCc1cc2c(=S)n(C)c(=S)[nH]c2s1
InChIInChI=1S/C8H8N2S3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12)
InChIKeyCCMXALJADKFUDI-UHFFFAOYSA-N
XLogP3.34
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.37
LogP ≤ 53.34
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

4,10-dimethyl-5,9-dithia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
CID 138667135
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CID 145497499
3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 67557929
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 23259582
6-methyl-3-(2-phenylethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4507745
2,4,5-trimethyl-6H-thieno[2,3-b]pyrrole
CID 176804488
6-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 3251158
3-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 4508139
3,5-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 16768429
N-(6-methyl-4-oxo-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-3-yl)pyridine-4-carboxamide
CID 4506978
3-(4-cyclopropylnaphthalen-1-yl)-6-methyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 155669612
3,6-dimethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 18918914

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione?
The IUPAC name of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione (CID 18738536) is 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione.
What is the SMILES notation for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione?
The canonical SMILES for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione is Cc1cc2c(=S)n(C)c(=S)[nH]c2s1.
What is the InChIKey of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione?
The InChIKey is CCMXALJADKFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S3/c1-4-3-5-6(13-4)9-8(12)10(2)7(5)11/h3H,1-2H3,(H,9,12).
What are the key properties of 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione?
3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione has a molecular weight of 228.37 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1H-thieno[2,3-d]pyrimidine-2,4-dithione is sourced from PubChem (CID 18738536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).