1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide

C8H10ClN3OS — CID 167266754

IUPAC1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide
SMILESO=S1(=Nc2cnc(Cl)cn2)CCCC1
InChIInChI=1S/C8H10ClN3OS/c9-7-5-11-8(6-10-7)12-14(13)3-1-2-4-14/h5-6H,1-4H2
InChIKeyVMRPNPVNYZACSW-UHFFFAOYSA-N
MW231.71 g/mol
LogP2.02
Rot. Bonds1

About 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide

1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide (PubChem CID 167266754) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide.

Molecular Properties

Compound Name1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide
PubChem CID167266754
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide
SMILESO=S1(=Nc2cnc(Cl)cn2)CCCC1
InChIInChI=1S/C8H10ClN3OS/c9-7-5-11-8(6-10-7)12-14(13)3-1-2-4-14/h5-6H,1-4H2
InChIKeyVMRPNPVNYZACSW-UHFFFAOYSA-N
XLogP2.02
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide?
The IUPAC name of 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide (CID 167266754) is 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide.
What is the SMILES notation for 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide?
The canonical SMILES for 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide is O=S1(=Nc2cnc(Cl)cn2)CCCC1.
What is the InChIKey of 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide?
The InChIKey is VMRPNPVNYZACSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-7-5-11-8(6-10-7)12-14(13)3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide?
1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide has a molecular weight of 231.71 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropyrazin-2-yl)iminothiolane 1-oxide is sourced from PubChem (CID 167266754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).