1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole

C12H14N8S2 — CID 2194106

IUPAC1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole
SMILESCn1nnnc1SCc1ccc(CSc2nnnn2C)cc1
InChIInChI=1S/C12H14N8S2/c1-19-11(13-15-17-19)21-7-9-3-5-10(6-4-9)8-22-12-14-16-18-20(12)2/h3-6H,7-8H2,1-2H3
InChIKeyMXNMARCFVKTRNK-UHFFFAOYSA-N
MW334.43 g/mol
LogP1.32
Rot. Bonds6

About 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole

1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole (PubChem CID 2194106) has the molecular formula C12H14N8S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole
PubChem CID2194106
Molecular FormulaC12H14N8S2
Molecular Weight334.43 g/mol
Exact Mass334.08
IUPAC Name1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole
SMILESCn1nnnc1SCc1ccc(CSc2nnnn2C)cc1
InChIInChI=1S/C12H14N8S2/c1-19-11(13-15-17-19)21-7-9-3-5-10(6-4-9)8-22-12-14-16-18-20(12)2/h3-6H,7-8H2,1-2H3
InChIKeyMXNMARCFVKTRNK-UHFFFAOYSA-N
XLogP1.32
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
CID 2266188
Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
CID 581253
1-Methyl-5-(4-methyl-benzylsulfanyl)-1H-tetrazole
CID 647032
5-(2-Fluoro-benzylsulfanyl)-1-methyl-1H-tetrazole
CID 656320
1-Cyclopropyl-5-[[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole
CID 24240241
1H-Tetrazole, 5,5'-(1,3-phenylenebis(methylenethio))bis(1-(2-propenyl)-
CID 618575
5-(Diphenylmethylthio)-1-methyl-1,2,3,4-tetraazole
CID 673947
5-(benzylsulfanyl)-1-methyl-1H-tetrazole
CID 2141459
1-Methyl-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]tetrazole
CID 45856112
1-Methyl-5-[(1-phenylvinyl)thio]-1h-tetrazole
CID 132471379
5-[(3-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
CID 3493418
1-methyl-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1H-tetrazole
CID 6466473

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole?
The IUPAC name of 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole (CID 2194106) is 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole.
What is the SMILES notation for 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole?
The canonical SMILES for 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole is Cn1nnnc1SCc1ccc(CSc2nnnn2C)cc1.
What is the InChIKey of 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole?
The InChIKey is MXNMARCFVKTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8S2/c1-19-11(13-15-17-19)21-7-9-3-5-10(6-4-9)8-22-12-14-16-18-20(12)2/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole?
1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole has a molecular weight of 334.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]methylsulfanyl]tetrazole is sourced from PubChem (CID 2194106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).