3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine

C10H11N3S — CID 35014070

IUPAC3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCn1ccnc1SCc1cccnc1
InChIInChI=1S/C10H11N3S/c1-13-6-5-12-10(13)14-8-9-3-2-4-11-7-9/h2-7H,8H2,1H3
InChIKeyQCVZVRSBFSTHHA-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.11
Rot. Bonds3

About 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine

3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine (PubChem CID 35014070) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
PubChem CID35014070
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine
SMILESCn1ccnc1SCc1cccnc1
InChIInChI=1S/C10H11N3S/c1-13-6-5-12-10(13)14-8-9-3-2-4-11-7-9/h2-7H,8H2,1H3
InChIKeyQCVZVRSBFSTHHA-UHFFFAOYSA-N
XLogP2.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The IUPAC name of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine (CID 35014070) is 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine is Cn1ccnc1SCc1cccnc1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
The InChIKey is QCVZVRSBFSTHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-13-6-5-12-10(13)14-8-9-3-2-4-11-7-9/h2-7H,8H2,1H3.
What are the key properties of 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine?
3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine has a molecular weight of 205.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 35014070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).