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

C5H8N8S2 — CID 15561103

IUPAC1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
SMILESCn1nnnc1SCn1nnn(C)c1=S
InChIInChI=1S/C5H8N8S2/c1-11-4(6-7-8-11)15-3-13-5(14)12(2)9-10-13/h3H2,1-2H3
InChIKeyRRWPCMXLMGPYJG-UHFFFAOYSA-N
MW244.31 g/mol
LogP-0.38
Rot. Bonds3

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

1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione (PubChem CID 15561103) has the molecular formula C5H8N8S2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione.

Molecular Properties

Compound Name1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
PubChem CID15561103
Molecular FormulaC5H8N8S2
Molecular Weight244.31 g/mol
Exact Mass244.03
IUPAC Name1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione
SMILESCn1nnnc1SCn1nnn(C)c1=S
InChIInChI=1S/C5H8N8S2/c1-11-4(6-7-8-11)15-3-13-5(14)12(2)9-10-13/h3H2,1-2H3
InChIKeyRRWPCMXLMGPYJG-UHFFFAOYSA-N
XLogP-0.38
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
N'-hydroxy-4-(1-methyltetrazol-5-yl)sulfanylbutanimidamide
CID 43187652
N,N-dimethyl-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine;hydrochloride
CID 44665530
1-methyl-5-[(1-methyltetrazol-5-yl)trisulfanyl]tetrazole
CID 54427991
4-(1-methyltetrazol-5-yl)sulfanylbutylthiourea
CID 163707173
6-(1-methyltetrazol-5-yl)sulfanylhexan-2-one
CID 43794005
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
3-[(1-methyltetrazol-5-yl)sulfanylmethyl]pentan-3-ol
CID 115914650
1-cyclopentyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115648631
methyl 4-(1-methyltetrazol-5-yl)sulfanylbutanoate
CID 13091621

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione?
The IUPAC name of 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione (CID 15561103) is 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione.
What is the SMILES notation for 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione?
The canonical SMILES for 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione is Cn1nnnc1SCn1nnn(C)c1=S.
What is the InChIKey of 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione?
The InChIKey is RRWPCMXLMGPYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N8S2/c1-11-4(6-7-8-11)15-3-13-5(14)12(2)9-10-13/h3H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione?
1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione has a molecular weight of 244.31 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]tetrazole-5-thione is sourced from PubChem (CID 15561103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).