2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine

C4H9N7S — CID 15159437

IUPAC2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine
SMILESNC(N)=NCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N7S/c5-3(6)7-1-2-11-4(12)8-9-10-11/h1-2H2,(H4,5,6,7)(H,8,10,12)
InChIKeyPUDHZBBMYDEOTM-UHFFFAOYSA-N
MW187.23 g/mol
LogP-1.39
Rot. Bonds3

About 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine

2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine (PubChem CID 15159437) has the molecular formula C4H9N7S and a molecular weight of 187.23 g/mol. Its IUPAC name is 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine
PubChem CID15159437
Molecular FormulaC4H9N7S
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine
SMILESNC(N)=NCCn1[nH]nnc1=S
InChIInChI=1S/C4H9N7S/c5-3(6)7-1-2-11-4(12)8-9-10-11/h1-2H2,(H4,5,6,7)(H,8,10,12)
InChIKeyPUDHZBBMYDEOTM-UHFFFAOYSA-N
XLogP-1.39
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-guanidinopropyl)-5-mercapto-1H-tetrazole
CID 15159443
2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine
CID 15159447

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine (CID 15159437) is 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine is NC(N)=NCCn1[nH]nnc1=S.
What is the InChIKey of 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine?
The InChIKey is PUDHZBBMYDEOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N7S/c5-3(6)7-1-2-11-4(12)8-9-10-11/h1-2H2,(H4,5,6,7)(H,8,10,12).
What are the key properties of 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine?
2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine has a molecular weight of 187.23 g/mol, XLogP of -1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]guanidine is sourced from PubChem (CID 15159437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).