[2-(diaminomethylidene)hydrazinyl]thiourea

C2H8N6S — CID 88827792

IUPAC[2-(diaminomethylidene)hydrazinyl]thiourea
SMILESNC(=S)NNN=C(N)N
InChIInChI=1S/C2H8N6S/c3-1(4)6-8-7-2(5)9/h8H,(H4,3,4,6)(H3,5,7,9)
InChIKeyKPIBEPNPMLQRSF-UHFFFAOYSA-N
MW148.20 g/mol
LogP-2.49
Rot. Bonds2

About [2-(diaminomethylidene)hydrazinyl]thiourea

[2-(diaminomethylidene)hydrazinyl]thiourea (PubChem CID 88827792) has the molecular formula C2H8N6S and a molecular weight of 148.20 g/mol. Its IUPAC name is [2-(diaminomethylidene)hydrazinyl]thiourea.

Molecular Properties

Compound Name[2-(diaminomethylidene)hydrazinyl]thiourea
PubChem CID88827792
Molecular FormulaC2H8N6S
Molecular Weight148.20 g/mol
Exact Mass148.05
IUPAC Name[2-(diaminomethylidene)hydrazinyl]thiourea
SMILESNC(=S)NNN=C(N)N
InChIInChI=1S/C2H8N6S/c3-1(4)6-8-7-2(5)9/h8H,(H4,3,4,6)(H3,5,7,9)
InChIKeyKPIBEPNPMLQRSF-UHFFFAOYSA-N
XLogP-2.49
TPSA114.48 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(diaminomethylidene)hydrazinyl]thiourea?
The IUPAC name of [2-(diaminomethylidene)hydrazinyl]thiourea (CID 88827792) is [2-(diaminomethylidene)hydrazinyl]thiourea.
What is the SMILES notation for [2-(diaminomethylidene)hydrazinyl]thiourea?
The canonical SMILES for [2-(diaminomethylidene)hydrazinyl]thiourea is NC(=S)NNN=C(N)N.
What is the InChIKey of [2-(diaminomethylidene)hydrazinyl]thiourea?
The InChIKey is KPIBEPNPMLQRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N6S/c3-1(4)6-8-7-2(5)9/h8H,(H4,3,4,6)(H3,5,7,9).
What are the key properties of [2-(diaminomethylidene)hydrazinyl]thiourea?
[2-(diaminomethylidene)hydrazinyl]thiourea has a molecular weight of 148.20 g/mol, XLogP of -2.49, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diaminomethylidene)hydrazinyl]thiourea is sourced from PubChem (CID 88827792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).