5-methylsulfanyl-1-naphthalen-1-yltetrazole

C12H10N4S — CID 1260002

IUPAC5-methylsulfanyl-1-naphthalen-1-yltetrazole
SMILESCSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4S/c1-17-12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyMRKVQUIXKVOTNM-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.54
Rot. Bonds2

About 5-methylsulfanyl-1-naphthalen-1-yltetrazole

5-methylsulfanyl-1-naphthalen-1-yltetrazole (PubChem CID 1260002) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-methylsulfanyl-1-naphthalen-1-yltetrazole.

Molecular Properties

Compound Name5-methylsulfanyl-1-naphthalen-1-yltetrazole
PubChem CID1260002
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name5-methylsulfanyl-1-naphthalen-1-yltetrazole
SMILESCSc1nnnn1-c1cccc2ccccc12
InChIInChI=1S/C12H10N4S/c1-17-12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
InChIKeyMRKVQUIXKVOTNM-UHFFFAOYSA-N
XLogP2.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1-naphthalen-1-yltetrazole?
The IUPAC name of 5-methylsulfanyl-1-naphthalen-1-yltetrazole (CID 1260002) is 5-methylsulfanyl-1-naphthalen-1-yltetrazole.
What is the SMILES notation for 5-methylsulfanyl-1-naphthalen-1-yltetrazole?
The canonical SMILES for 5-methylsulfanyl-1-naphthalen-1-yltetrazole is CSc1nnnn1-c1cccc2ccccc12.
What is the InChIKey of 5-methylsulfanyl-1-naphthalen-1-yltetrazole?
The InChIKey is MRKVQUIXKVOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-17-12-13-14-15-16(12)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3.
What are the key properties of 5-methylsulfanyl-1-naphthalen-1-yltetrazole?
5-methylsulfanyl-1-naphthalen-1-yltetrazole has a molecular weight of 242.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1-naphthalen-1-yltetrazole is sourced from PubChem (CID 1260002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).