1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine

C8H20N6S4 — CID 176524133

IUPAC1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
SMILES[H]/N=C(\N)NCCCSSSSCCCN=C(N)N
InChIInChI=1S/C8H20N6S4/c9-7(10)13-3-1-5-15-17-18-16-6-2-4-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyJOMSVRDQLCRFRZ-UHFFFAOYSA-N
MW328.56 g/mol
LogP1.20
Rot. Bonds11

About 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine

1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine (PubChem CID 176524133) has the molecular formula C8H20N6S4 and a molecular weight of 328.56 g/mol. Its IUPAC name is 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine.

Molecular Properties

Compound Name1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
PubChem CID176524133
Molecular FormulaC8H20N6S4
Molecular Weight328.56 g/mol
Exact Mass328.06
IUPAC Name1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine
SMILES[H]/N=C(\N)NCCCSSSSCCCN=C(N)N
InChIInChI=1S/C8H20N6S4/c9-7(10)13-3-1-5-15-17-18-16-6-2-4-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14)
InChIKeyJOMSVRDQLCRFRZ-UHFFFAOYSA-N
XLogP1.20
TPSA126.30 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.56
LogP ≤ 51.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[12-(diaminomethylideneamino)dodecyl]guanidine;tetrahydrochloride
CID 176518301
1-[10-(diaminomethylideneamino)decyl]guanidine;hydron;dichloride
CID 176533607
1-[8-[8-(diaminomethylideneamino)octoxy]octyl]guanidine
CID 176522885
1-[6-(diaminomethylideneamino)hexyl]guanidine;nitric acid
CID 176530052
CID 176532250
CID 176532250
1,3-bis(diaminomethylidene)guanidine;1-carbamimidoylguanidine;1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 176518855
chlorobenzene;1-[6-(diaminomethylideneamino)hexyl]guanidine
CID 176532079
1-(9-carbamimidamidononyl)guanidine
CID 176533990
N-(3-carbamimidamidopropyl)-N-[3-(diaminomethylideneamino)propyl]-4,4-dimethylpentanamide
CID 176527557
2-(6-carbamimidamidohexyl)-1-cyanoguanidine
CID 176546132
2-carbamimidamidoethyl carbamimidothioate;dihydrobromide
CID 176518669
6-(diaminomethylideneamino)hexyl carbamimidothioate;hydrobromide
CID 45263460

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine?
The IUPAC name of 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine (CID 176524133) is 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine.
What is the SMILES notation for 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine?
The canonical SMILES for 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine is [H]/N=C(\N)NCCCSSSSCCCN=C(N)N.
What is the InChIKey of 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine?
The InChIKey is JOMSVRDQLCRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N6S4/c9-7(10)13-3-1-5-15-17-18-16-6-2-4-14-8(11)12/h1-6H2,(H4,9,10,13)(H4,11,12,14).
What are the key properties of 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine?
1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine has a molecular weight of 328.56 g/mol, XLogP of 1.20, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(diaminomethylideneamino)propyltetrasulfanyl]propyl]guanidine is sourced from PubChem (CID 176524133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).