1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol

C4H8N4S2 — CID 174251383

IUPAC1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol
SMILESCn1nnnc1C(S)CS
InChIInChI=1S/C4H8N4S2/c1-8-4(3(10)2-9)5-6-7-8/h3,9-10H,2H2,1H3
InChIKeyYEOCPWVHAIWJOL-UHFFFAOYSA-N
MW176.27 g/mol
LogP0.11
Rot. Bonds2

About 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol

1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol (PubChem CID 174251383) has the molecular formula C4H8N4S2 and a molecular weight of 176.27 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol
PubChem CID174251383
Molecular FormulaC4H8N4S2
Molecular Weight176.27 g/mol
Exact Mass176.02
IUPAC Name1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol
SMILESCn1nnnc1C(S)CS
InChIInChI=1S/C4H8N4S2/c1-8-4(3(10)2-9)5-6-7-8/h3,9-10H,2H2,1H3
InChIKeyYEOCPWVHAIWJOL-UHFFFAOYSA-N
XLogP0.11
TPSA43.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.27
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol?
The IUPAC name of 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol (CID 174251383) is 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol is Cn1nnnc1C(S)CS.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol?
The InChIKey is YEOCPWVHAIWJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S2/c1-8-4(3(10)2-9)5-6-7-8/h3,9-10H,2H2,1H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol?
1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol has a molecular weight of 176.27 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)ethane-1,2-dithiol is sourced from PubChem (CID 174251383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).