2-methylsulfanyl-3-thiophen-2-ylpyrazine

C9H8N2S2 — CID 123525610

IUPAC2-methylsulfanyl-3-thiophen-2-ylpyrazine
SMILESCSc1nccnc1-c1cccs1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(10-4-5-11-9)7-3-2-6-13-7/h2-6H,1H3
InChIKeyVPKDBUMCKLJPNQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.93
Rot. Bonds2

About 2-methylsulfanyl-3-thiophen-2-ylpyrazine

2-methylsulfanyl-3-thiophen-2-ylpyrazine (PubChem CID 123525610) has the molecular formula C9H8N2S2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-methylsulfanyl-3-thiophen-2-ylpyrazine.

Molecular Properties

Compound Name2-methylsulfanyl-3-thiophen-2-ylpyrazine
PubChem CID123525610
Molecular FormulaC9H8N2S2
Molecular Weight208.31 g/mol
Exact Mass208.01
IUPAC Name2-methylsulfanyl-3-thiophen-2-ylpyrazine
SMILESCSc1nccnc1-c1cccs1
InChIInChI=1S/C9H8N2S2/c1-12-9-8(10-4-5-11-9)7-3-2-6-13-7/h2-6H,1H3
InChIKeyVPKDBUMCKLJPNQ-UHFFFAOYSA-N
XLogP2.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726
2-methylsulfanyl-4-thiophen-2-ylquinazoline
CID 14117950
3-methyl-2-thiophen-2-yl-4-(trifluoromethyl)pyridine
CID 163268312
2-methyl-3-thiophen-2-ylpyridine
CID 118471782
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
ethane;propane;2-thiophen-2-ylpyrazine
CID 142831454
2,6-bis(methylsulfanyl)-4-thiophen-2-ylpyridine
CID 14202028
4-methyl-2-thiophen-2-ylpyrimidine
CID 21025894
5-bromo-4,6-dithiophen-2-ylpyrimidine
CID 134693324
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-thiophen-2-ylpyrazine?
The IUPAC name of 2-methylsulfanyl-3-thiophen-2-ylpyrazine (CID 123525610) is 2-methylsulfanyl-3-thiophen-2-ylpyrazine.
What is the SMILES notation for 2-methylsulfanyl-3-thiophen-2-ylpyrazine?
The canonical SMILES for 2-methylsulfanyl-3-thiophen-2-ylpyrazine is CSc1nccnc1-c1cccs1.
What is the InChIKey of 2-methylsulfanyl-3-thiophen-2-ylpyrazine?
The InChIKey is VPKDBUMCKLJPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S2/c1-12-9-8(10-4-5-11-9)7-3-2-6-13-7/h2-6H,1H3.
What are the key properties of 2-methylsulfanyl-3-thiophen-2-ylpyrazine?
2-methylsulfanyl-3-thiophen-2-ylpyrazine has a molecular weight of 208.31 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-thiophen-2-ylpyrazine is sourced from PubChem (CID 123525610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).