2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid

C6H18N6O4S3 — CID 42614789

IUPAC2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
SMILESNC(N)=NCCSSCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C6H16N6S2.H2O4S/c7-5(8)11-1-3-13-14-4-2-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
InChIKeyPWWLIDQEZFBVSD-UHFFFAOYSA-N
MW334.45 g/mol
LogP-1.74
Rot. Bonds7

About 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid

2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid (PubChem CID 42614789) has the molecular formula C6H18N6O4S3 and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
PubChem CID42614789
Molecular FormulaC6H18N6O4S3
Molecular Weight334.45 g/mol
Exact Mass334.06
IUPAC Name2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid
SMILESNC(N)=NCCSSCCN=C(N)N.O=S(=O)(O)O
InChIInChI=1S/C6H16N6S2.H2O4S/c7-5(8)11-1-3-13-14-4-2-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4)
InChIKeyPWWLIDQEZFBVSD-UHFFFAOYSA-N
XLogP-1.74
TPSA203.40 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 5-1.74
H-Bond Donors ≤ 56
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-[2-[2-[(1-amino-1-oxopropan-2-ylidene)amino]ethyldisulfanyl]ethylimino]propanamide
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2-(2-cyclopentylethyl)guanidine;sulfuric acid
CID 70610443
2-[2-[(4-ethyl-1H-imidazol-5-yl)methylsulfanyl]ethyl]guanidine;sulfuric acid
CID 70506379
(2R)-2-amino-6-(diaminomethylideneamino)hexanoic acid;sulfuric acid
CID 139024984
2-but-2-ynylguanidine;sulfuric acid
CID 88797227
guanidine;sulfuric acid
CID 159331300
2-hydroxyguanidine;sulfuric acid;hydrate
CID 86674791
2-[2-[cyclohexyl(propyl)amino]ethyl]guanidine;sulfuric acid;hydrate
CID 23619153
2-[2-(1-amino-2-sulfanylethyl)sulfanylethyl]guanidine
CID 91280043

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid?
The IUPAC name of 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid (CID 42614789) is 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid.
What is the SMILES notation for 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid?
The canonical SMILES for 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid is NC(N)=NCCSSCCN=C(N)N.O=S(=O)(O)O.
What is the InChIKey of 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid?
The InChIKey is PWWLIDQEZFBVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N6S2.H2O4S/c7-5(8)11-1-3-13-14-4-2-12-6(9)10;1-5(2,3)4/h1-4H2,(H4,7,8,11)(H4,9,10,12);(H2,1,2,3,4).
What are the key properties of 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid?
2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid has a molecular weight of 334.45 g/mol, XLogP of -1.74, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(diaminomethylideneamino)ethyldisulfanyl]ethyl]guanidine;sulfuric acid is sourced from PubChem (CID 42614789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).