1-ethyltetrazole;sulfane

C3H8N4S — CID 174767035

IUPAC1-ethyltetrazole;sulfane
SMILESCCn1cnnn1.S
InChIInChI=1S/C3H6N4.H2S/c1-2-7-3-4-5-6-7;/h3H,2H2,1H3;1H2
InChIKeyUCVZCTDLGMJVJG-UHFFFAOYSA-N
MW132.19 g/mol
LogP-0.19
Rot. Bonds1

About 1-ethyltetrazole;sulfane

1-ethyltetrazole;sulfane (PubChem CID 174767035) has the molecular formula C3H8N4S and a molecular weight of 132.19 g/mol. Its IUPAC name is 1-ethyltetrazole;sulfane.

Molecular Properties

Compound Name1-ethyltetrazole;sulfane
PubChem CID174767035
Molecular FormulaC3H8N4S
Molecular Weight132.19 g/mol
Exact Mass132.05
IUPAC Name1-ethyltetrazole;sulfane
SMILESCCn1cnnn1.S
InChIInChI=1S/C3H6N4.H2S/c1-2-7-3-4-5-6-7;/h3H,2H2,1H3;1H2
InChIKeyUCVZCTDLGMJVJG-UHFFFAOYSA-N
XLogP-0.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-(tetrazol-1-yl)acetate
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ethyl tetrazol-1-ylmethyl carbonate
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2-(tetrazol-1-yl)ethanesulfinic acid
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1-[(E)-pent-2-en-2-yl]tetrazole
CID 167109721

Frequently Asked Questions

What is the IUPAC name of 1-ethyltetrazole;sulfane?
The IUPAC name of 1-ethyltetrazole;sulfane (CID 174767035) is 1-ethyltetrazole;sulfane.
What is the SMILES notation for 1-ethyltetrazole;sulfane?
The canonical SMILES for 1-ethyltetrazole;sulfane is CCn1cnnn1.S.
What is the InChIKey of 1-ethyltetrazole;sulfane?
The InChIKey is UCVZCTDLGMJVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.H2S/c1-2-7-3-4-5-6-7;/h3H,2H2,1H3;1H2.
What are the key properties of 1-ethyltetrazole;sulfane?
1-ethyltetrazole;sulfane has a molecular weight of 132.19 g/mol, XLogP of -0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyltetrazole;sulfane is sourced from PubChem (CID 174767035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).