disulfanylsulfonylsulfanylurea

CH4N2O3S4 — CID 174747571

IUPACdisulfanylsulfonylsulfanylurea
SMILESNC(=O)NSS(=O)(=O)SS
InChIInChI=1S/CH4N2O3S4/c2-1(4)3-8-10(5,6)9-7/h7H,(H3,2,3,4)
InChIKeyYCWZMUAFJIFCHY-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.13
Rot. Bonds3

About disulfanylsulfonylsulfanylurea

disulfanylsulfonylsulfanylurea (PubChem CID 174747571) has the molecular formula CH4N2O3S4 and a molecular weight of 220.32 g/mol. Its IUPAC name is disulfanylsulfonylsulfanylurea.

Molecular Properties

Compound Namedisulfanylsulfonylsulfanylurea
PubChem CID174747571
Molecular FormulaCH4N2O3S4
Molecular Weight220.32 g/mol
Exact Mass219.91
IUPAC Namedisulfanylsulfonylsulfanylurea
SMILESNC(=O)NSS(=O)(=O)SS
InChIInChI=1S/CH4N2O3S4/c2-1(4)3-8-10(5,6)9-7/h7H,(H3,2,3,4)
InChIKeyYCWZMUAFJIFCHY-UHFFFAOYSA-N
XLogP0.13
TPSA89.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(carbamoylamino)trisulfanyl]urea
CID 154440515
hydroxyurea;sulfuric acid
CID 170163620
lithium urea
CID 22107644
1-(carbamoylamino)sulfanyl-1-methylurea
CID 151656963
bis(carbamothioic S-acid);copper;sulfuric acid
CID 173391644
lithium;bromourea;bromide
CID 175098948
1-deuterio-1-fluorourea
CID 175691665
sulfamoylsulfonylurea
CID 54118048
phenylsulfanylurea
CID 22219022
1-aminosulfanyl-3-carbamoylurea
CID 87475269
CID 173237266
CID 173237266
hydroxyurea;dihydrochloride
CID 175264488

Frequently Asked Questions

What is the IUPAC name of disulfanylsulfonylsulfanylurea?
The IUPAC name of disulfanylsulfonylsulfanylurea (CID 174747571) is disulfanylsulfonylsulfanylurea.
What is the SMILES notation for disulfanylsulfonylsulfanylurea?
The canonical SMILES for disulfanylsulfonylsulfanylurea is NC(=O)NSS(=O)(=O)SS.
What is the InChIKey of disulfanylsulfonylsulfanylurea?
The InChIKey is YCWZMUAFJIFCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O3S4/c2-1(4)3-8-10(5,6)9-7/h7H,(H3,2,3,4).
What are the key properties of disulfanylsulfonylsulfanylurea?
disulfanylsulfonylsulfanylurea has a molecular weight of 220.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disulfanylsulfonylsulfanylurea is sourced from PubChem (CID 174747571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).