1-sulfanyl-3-sulfonylurea

CH2N2O3S2 — CID 22564727

IUPAC1-sulfanyl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)NS
InChIInChI=1S/CH2N2O3S2/c4-1(2-7)3-8(5)6/h7H,(H,2,4)
InChIKeyXGNZHLIMYBCVIF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.40
Rot. Bonds

About 1-sulfanyl-3-sulfonylurea

1-sulfanyl-3-sulfonylurea (PubChem CID 22564727) has the molecular formula CH2N2O3S2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-sulfanyl-3-sulfonylurea.

Molecular Properties

Compound Name1-sulfanyl-3-sulfonylurea
PubChem CID22564727
Molecular FormulaCH2N2O3S2
Molecular Weight154.17 g/mol
Exact Mass153.95
IUPAC Name1-sulfanyl-3-sulfonylurea
SMILESO=C(N=S(=O)=O)NS
InChIInChI=1S/CH2N2O3S2/c4-1(2-7)3-8(5)6/h7H,(H,2,4)
InChIKeyXGNZHLIMYBCVIF-UHFFFAOYSA-N
XLogP-0.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-sulfonyl-3-[(E)-(sulfonylcarbamoylamino)diazenyl]urea
CID 145063647
1-(1-hydroxyethyl)-3-sulfonylurea
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1-pyrimidin-2-yl-3-sulfonylurea
CID 23043226
1-hexadecyl-3-sulfonylurea
CID 87997477
CID 172688574
CID 172688574
azane;N-sulfonylacetamide
CID 174881843
N-sulfanylcarbamoyl bromide
CID 141041734
N,N-diethylethanamine;methyl N-sulfonylcarbamate
CID 12688775
sulfane;sulfonylurea;urea
CID 159945588
but-2-ene;1-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-sulfonylurea
CID 173425118
2-hydroxy-N-sulfanylacetamide
CID 166739002

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-3-sulfonylurea?
The IUPAC name of 1-sulfanyl-3-sulfonylurea (CID 22564727) is 1-sulfanyl-3-sulfonylurea.
What is the SMILES notation for 1-sulfanyl-3-sulfonylurea?
The canonical SMILES for 1-sulfanyl-3-sulfonylurea is O=C(N=S(=O)=O)NS.
What is the InChIKey of 1-sulfanyl-3-sulfonylurea?
The InChIKey is XGNZHLIMYBCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2O3S2/c4-1(2-7)3-8(5)6/h7H,(H,2,4).
What are the key properties of 1-sulfanyl-3-sulfonylurea?
1-sulfanyl-3-sulfonylurea has a molecular weight of 154.17 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-3-sulfonylurea is sourced from PubChem (CID 22564727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).