(2-amino-2-sulfanylideneethyl)urea

C3H7N3OS — CID 61127484

IUPAC(2-amino-2-sulfanylideneethyl)urea
SMILESNC(=O)NCC(N)=S
InChIInChI=1S/C3H7N3OS/c4-2(8)1-6-3(5)7/h1H2,(H2,4,8)(H3,5,6,7)
InChIKeyXRNAWIREXJITES-UHFFFAOYSA-N
MW133.18 g/mol
LogP-1.06
Rot. Bonds2

About (2-amino-2-sulfanylideneethyl)urea

(2-amino-2-sulfanylideneethyl)urea (PubChem CID 61127484) has the molecular formula C3H7N3OS and a molecular weight of 133.18 g/mol. Its IUPAC name is (2-amino-2-sulfanylideneethyl)urea.

Molecular Properties

Compound Name(2-amino-2-sulfanylideneethyl)urea
PubChem CID61127484
Molecular FormulaC3H7N3OS
Molecular Weight133.18 g/mol
Exact Mass133.03
IUPAC Name(2-amino-2-sulfanylideneethyl)urea
SMILESNC(=O)NCC(N)=S
InChIInChI=1S/C3H7N3OS/c4-2(8)1-6-3(5)7/h1H2,(H2,4,8)(H3,5,6,7)
InChIKeyXRNAWIREXJITES-UHFFFAOYSA-N
XLogP-1.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-2-sulfanylideneethyl)urea?
The IUPAC name of (2-amino-2-sulfanylideneethyl)urea (CID 61127484) is (2-amino-2-sulfanylideneethyl)urea.
What is the SMILES notation for (2-amino-2-sulfanylideneethyl)urea?
The canonical SMILES for (2-amino-2-sulfanylideneethyl)urea is NC(=O)NCC(N)=S.
What is the InChIKey of (2-amino-2-sulfanylideneethyl)urea?
The InChIKey is XRNAWIREXJITES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3OS/c4-2(8)1-6-3(5)7/h1H2,(H2,4,8)(H3,5,6,7).
What are the key properties of (2-amino-2-sulfanylideneethyl)urea?
(2-amino-2-sulfanylideneethyl)urea has a molecular weight of 133.18 g/mol, XLogP of -1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-sulfanylideneethyl)urea is sourced from PubChem (CID 61127484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).