2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine

C5H11N7S — CID 15159443

IUPAC2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine
SMILESNC(N)=NCCCn1[nH]nnc1=S
InChIInChI=1S/C5H11N7S/c6-4(7)8-2-1-3-12-5(13)9-10-11-12/h1-3H2,(H4,6,7,8)(H,9,11,13)
InChIKeyULSRDNIIMIUSAI-UHFFFAOYSA-N
MW201.26 g/mol
LogP-1.00
Rot. Bonds4

About 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine

2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine (PubChem CID 15159443) has the molecular formula C5H11N7S and a molecular weight of 201.26 g/mol. Its IUPAC name is 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine
PubChem CID15159443
Molecular FormulaC5H11N7S
Molecular Weight201.26 g/mol
Exact Mass201.08
IUPAC Name2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine
SMILESNC(N)=NCCCn1[nH]nnc1=S
InChIInChI=1S/C5H11N7S/c6-4(7)8-2-1-3-12-5(13)9-10-11-12/h1-3H2,(H4,6,7,8)(H,9,11,13)
InChIKeyULSRDNIIMIUSAI-UHFFFAOYSA-N
XLogP-1.00
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-guanidinoethyl)-5-mercapto-1H-tetrazole
CID 15159437
2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine
CID 15159447
1-(3-aminopropyl)-2H-tetrazole-5-thione
CID 15333026

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine?
The IUPAC name of 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine (CID 15159443) is 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine.
What is the SMILES notation for 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine?
The canonical SMILES for 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine is NC(N)=NCCCn1[nH]nnc1=S.
What is the InChIKey of 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine?
The InChIKey is ULSRDNIIMIUSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N7S/c6-4(7)8-2-1-3-12-5(13)9-10-11-12/h1-3H2,(H4,6,7,8)(H,9,11,13).
What are the key properties of 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine?
2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine has a molecular weight of 201.26 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)propyl]guanidine is sourced from PubChem (CID 15159443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).