(2-amino-1-cyano-2-sulfanylideneethyl)urea

C4H6N4OS — CID 57346850

IUPAC(2-amino-1-cyano-2-sulfanylideneethyl)urea
SMILESN#CC(NC(N)=O)C(N)=S
InChIInChI=1S/C4H6N4OS/c5-1-2(3(6)10)8-4(7)9/h2H,(H2,6,10)(H3,7,8,9)
InChIKeyBAUWZFZLPQXGPT-UHFFFAOYSA-N
MW158.19 g/mol
LogP-1.17
Rot. Bonds2

About (2-amino-1-cyano-2-sulfanylideneethyl)urea

(2-amino-1-cyano-2-sulfanylideneethyl)urea (PubChem CID 57346850) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is (2-amino-1-cyano-2-sulfanylideneethyl)urea.

Molecular Properties

Compound Name(2-amino-1-cyano-2-sulfanylideneethyl)urea
PubChem CID57346850
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name(2-amino-1-cyano-2-sulfanylideneethyl)urea
SMILESN#CC(NC(N)=O)C(N)=S
InChIInChI=1S/C4H6N4OS/c5-1-2(3(6)10)8-4(7)9/h2H,(H2,6,10)(H3,7,8,9)
InChIKeyBAUWZFZLPQXGPT-UHFFFAOYSA-N
XLogP-1.17
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1-cyano-2-sulfanylideneethyl)urea?
The IUPAC name of (2-amino-1-cyano-2-sulfanylideneethyl)urea (CID 57346850) is (2-amino-1-cyano-2-sulfanylideneethyl)urea.
What is the SMILES notation for (2-amino-1-cyano-2-sulfanylideneethyl)urea?
The canonical SMILES for (2-amino-1-cyano-2-sulfanylideneethyl)urea is N#CC(NC(N)=O)C(N)=S.
What is the InChIKey of (2-amino-1-cyano-2-sulfanylideneethyl)urea?
The InChIKey is BAUWZFZLPQXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c5-1-2(3(6)10)8-4(7)9/h2H,(H2,6,10)(H3,7,8,9).
What are the key properties of (2-amino-1-cyano-2-sulfanylideneethyl)urea?
(2-amino-1-cyano-2-sulfanylideneethyl)urea has a molecular weight of 158.19 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-cyano-2-sulfanylideneethyl)urea is sourced from PubChem (CID 57346850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).