S-(thiophen-2-ylsulfonylamino) methanethioate

C5H5NO3S3 — CID 23443454

IUPACS-(thiophen-2-ylsulfonylamino) methanethioate
SMILESO=CSNS(=O)(=O)c1cccs1
InChIInChI=1S/C5H5NO3S3/c7-4-11-6-12(8,9)5-2-1-3-10-5/h1-4,6H
InChIKeyZKLRFKVNLSBEHB-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.86
Rot. Bonds4

About S-(thiophen-2-ylsulfonylamino) methanethioate

S-(thiophen-2-ylsulfonylamino) methanethioate (PubChem CID 23443454) has the molecular formula C5H5NO3S3 and a molecular weight of 223.30 g/mol. Its IUPAC name is S-(thiophen-2-ylsulfonylamino) methanethioate.

Molecular Properties

Compound NameS-(thiophen-2-ylsulfonylamino) methanethioate
PubChem CID23443454
Molecular FormulaC5H5NO3S3
Molecular Weight223.30 g/mol
Exact Mass222.94
IUPAC NameS-(thiophen-2-ylsulfonylamino) methanethioate
SMILESO=CSNS(=O)(=O)c1cccs1
InChIInChI=1S/C5H5NO3S3/c7-4-11-6-12(8,9)5-2-1-3-10-5/h1-4,6H
InChIKeyZKLRFKVNLSBEHB-UHFFFAOYSA-N
XLogP0.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

N-fluorothiophene-2-sulfonamide
CID 175398216
N'-hydroxythiophene-2-sulfonohydrazide
CID 67151955
N-methylthiophene-2-sulfonamide;molecular hydrogen
CID 143039868
2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
N-thiophen-2-ylsulfonylprop-2-enamide
CID 139972027
thiophen-2-ylsulfonylurea;urea
CID 19065180
2-(disulfanylsulfonyl)thiophene
CID 147186470
N-pyridin-1-ium-1-ylthiophene-2-sulfonamide
CID 175479061
N-(thiophen-2-ylmethylidene)thiophene-2-sulfonamide
CID 693839
N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 765837
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
thiophene-2-(18F)sulfonyl fluoride
CID 72736656

Frequently Asked Questions

What is the IUPAC name of S-(thiophen-2-ylsulfonylamino) methanethioate?
The IUPAC name of S-(thiophen-2-ylsulfonylamino) methanethioate (CID 23443454) is S-(thiophen-2-ylsulfonylamino) methanethioate.
What is the SMILES notation for S-(thiophen-2-ylsulfonylamino) methanethioate?
The canonical SMILES for S-(thiophen-2-ylsulfonylamino) methanethioate is O=CSNS(=O)(=O)c1cccs1.
What is the InChIKey of S-(thiophen-2-ylsulfonylamino) methanethioate?
The InChIKey is ZKLRFKVNLSBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S3/c7-4-11-6-12(8,9)5-2-1-3-10-5/h1-4,6H.
What are the key properties of S-(thiophen-2-ylsulfonylamino) methanethioate?
S-(thiophen-2-ylsulfonylamino) methanethioate has a molecular weight of 223.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for S-(thiophen-2-ylsulfonylamino) methanethioate is sourced from PubChem (CID 23443454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).