2-prop-2-enylsulfanylpyrimidine

C7H8N2S — CID 3680572

IUPAC2-prop-2-enylsulfanylpyrimidine
SMILESC=CCSc1ncccn1
InChIInChI=1S/C7H8N2S/c1-2-6-10-7-8-4-3-5-9-7/h2-5H,1,6H2
InChIKeyIOJPNTVOGRIGDL-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.75
Rot. Bonds3

About 2-prop-2-enylsulfanylpyrimidine

2-prop-2-enylsulfanylpyrimidine (PubChem CID 3680572) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylpyrimidine.

Molecular Properties

Compound Name2-prop-2-enylsulfanylpyrimidine
PubChem CID3680572
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name2-prop-2-enylsulfanylpyrimidine
SMILESC=CCSc1ncccn1
InChIInChI=1S/C7H8N2S/c1-2-6-10-7-8-4-3-5-9-7/h2-5H,1,6H2
InChIKeyIOJPNTVOGRIGDL-UHFFFAOYSA-N
XLogP1.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Pyrimidine
CID 9260
2-Aminopyrimidine
CID 7978
(Pyrimidin-2-ylthio)acetic acid
CID 581022
2-Fluoropyrimidine
CID 141643
2-Chloropyrimidine
CID 74404
4-(Methylsulfanyl)pyrimidin-2-amine
CID 238736
4-Chloro-2-methylthiopyrimidine
CID 97113
2-Iodopyrimidine
CID 11356200
2-(Methylthio)pyrimidin-4-amine
CID 259225
2-(Methylsulfanyl)pyrimidine
CID 522772
2-Pyrimidinamine, hydrochloride (1:?)
CID 21283515
2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylpyrimidine?
The IUPAC name of 2-prop-2-enylsulfanylpyrimidine (CID 3680572) is 2-prop-2-enylsulfanylpyrimidine.
What is the SMILES notation for 2-prop-2-enylsulfanylpyrimidine?
The canonical SMILES for 2-prop-2-enylsulfanylpyrimidine is C=CCSc1ncccn1.
What is the InChIKey of 2-prop-2-enylsulfanylpyrimidine?
The InChIKey is IOJPNTVOGRIGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-2-6-10-7-8-4-3-5-9-7/h2-5H,1,6H2.
What are the key properties of 2-prop-2-enylsulfanylpyrimidine?
2-prop-2-enylsulfanylpyrimidine has a molecular weight of 152.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylpyrimidine is sourced from PubChem (CID 3680572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).