2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine

C6H13N7S — CID 15159447

IUPAC2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine
SMILESNC(N)=NCCCCn1[nH]nnc1=S
InChIInChI=1S/C6H13N7S/c7-5(8)9-3-1-2-4-13-6(14)10-11-12-13/h1-4H2,(H4,7,8,9)(H,10,12,14)
InChIKeyQDOBTJDDTHBCHS-UHFFFAOYSA-N
MW215.29 g/mol
LogP-0.61
Rot. Bonds5

About 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine

2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine (PubChem CID 15159447) has the molecular formula C6H13N7S and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine.

Molecular Properties

Compound Name2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine
PubChem CID15159447
Molecular FormulaC6H13N7S
Molecular Weight215.29 g/mol
Exact Mass215.10
IUPAC Name2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine
SMILESNC(N)=NCCCCn1[nH]nnc1=S
InChIInChI=1S/C6H13N7S/c7-5(8)9-3-1-2-4-13-6(14)10-11-12-13/h1-4H2,(H4,7,8,9)(H,10,12,14)
InChIKeyQDOBTJDDTHBCHS-UHFFFAOYSA-N
XLogP-0.61
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 5-0.61
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine?
The IUPAC name of 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine (CID 15159447) is 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine.
What is the SMILES notation for 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine?
The canonical SMILES for 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine is NC(N)=NCCCCn1[nH]nnc1=S.
What is the InChIKey of 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine?
The InChIKey is QDOBTJDDTHBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N7S/c7-5(8)9-3-1-2-4-13-6(14)10-11-12-13/h1-4H2,(H4,7,8,9)(H,10,12,14).
What are the key properties of 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine?
2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine has a molecular weight of 215.29 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-sulfanylidene-2H-tetrazol-1-yl)butyl]guanidine is sourced from PubChem (CID 15159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).