1-prop-2-enylpyrimidine-2,4-dithione

C7H8N2S2 — CID 11608044

IUPAC1-prop-2-enylpyrimidine-2,4-dithione
SMILESC=CCn1ccc(=S)[nH]c1=S
InChIInChI=1S/C7H8N2S2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11)
InChIKeyQJCJEPXPYGSCKK-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.46
Rot. Bonds2

About 1-prop-2-enylpyrimidine-2,4-dithione

1-prop-2-enylpyrimidine-2,4-dithione (PubChem CID 11608044) has the molecular formula C7H8N2S2 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-prop-2-enylpyrimidine-2,4-dithione.

Molecular Properties

Compound Name1-prop-2-enylpyrimidine-2,4-dithione
PubChem CID11608044
Molecular FormulaC7H8N2S2
Molecular Weight184.29 g/mol
Exact Mass184.01
IUPAC Name1-prop-2-enylpyrimidine-2,4-dithione
SMILESC=CCn1ccc(=S)[nH]c1=S
InChIInChI=1S/C7H8N2S2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11)
InChIKeyQJCJEPXPYGSCKK-UHFFFAOYSA-N
XLogP2.46
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dithiouracil
CID 1712448
1-Methyl-2,4-dithiouracil
CID 23422236
3,4-Dihydro-2(1H)-pyrimidinethione
CID 5260030
Fluoromethyl-3,4-dihydropyrimidine-2(1h)-thione
CID 129746464
Dihydro-4(3H)-pyrimidinthion
CID 18173008
1-Allylimidazole-2-thione
CID 5372590
Methyl(1h,4h)-pyrimidine-2-thiol
CID 129705090
4-sulfanyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 3003874
2-sulfanyl-2,3-dihydro-1H-pyrimidine-4-thione
CID 20340675
2,2,3-trimethyl-1H-pyrimidine-6-thione
CID 20694653
1-Isopropyl-3,4-dihydropyrimidine-2(1H)-thione
CID 21222590
6-(dimethylamino)-1H-pyridine-2-thione
CID 23511094

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrimidine-2,4-dithione?
The IUPAC name of 1-prop-2-enylpyrimidine-2,4-dithione (CID 11608044) is 1-prop-2-enylpyrimidine-2,4-dithione.
What is the SMILES notation for 1-prop-2-enylpyrimidine-2,4-dithione?
The canonical SMILES for 1-prop-2-enylpyrimidine-2,4-dithione is C=CCn1ccc(=S)[nH]c1=S.
What is the InChIKey of 1-prop-2-enylpyrimidine-2,4-dithione?
The InChIKey is QJCJEPXPYGSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S2/c1-2-4-9-5-3-6(10)8-7(9)11/h2-3,5H,1,4H2,(H,8,10,11).
What are the key properties of 1-prop-2-enylpyrimidine-2,4-dithione?
1-prop-2-enylpyrimidine-2,4-dithione has a molecular weight of 184.29 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrimidine-2,4-dithione is sourced from PubChem (CID 11608044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).