chlorosulfonylcarbamothioic S-acid

CH2ClNO3S2 — CID 19796828

IUPACchlorosulfonylcarbamothioic S-acid
SMILESO=C(S)NS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO3S2/c2-8(5,6)3-1(4)7/h(H2,3,4,7)
InChIKeyVBSCJYVGENJQJG-UHFFFAOYSA-N
MW175.62 g/mol
LogP0.11
Rot. Bonds1

About chlorosulfonylcarbamothioic S-acid

chlorosulfonylcarbamothioic S-acid (PubChem CID 19796828) has the molecular formula CH2ClNO3S2 and a molecular weight of 175.62 g/mol. Its IUPAC name is chlorosulfonylcarbamothioic S-acid.

Molecular Properties

Compound Namechlorosulfonylcarbamothioic S-acid
PubChem CID19796828
Molecular FormulaCH2ClNO3S2
Molecular Weight175.62 g/mol
Exact Mass174.92
IUPAC Namechlorosulfonylcarbamothioic S-acid
SMILESO=C(S)NS(=O)(=O)Cl
InChIInChI=1S/CH2ClNO3S2/c2-8(5,6)3-1(4)7/h(H2,3,4,7)
InChIKeyVBSCJYVGENJQJG-UHFFFAOYSA-N
XLogP0.11
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.62
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chlorosulfonylcarbamothioic S-acid?
The IUPAC name of chlorosulfonylcarbamothioic S-acid (CID 19796828) is chlorosulfonylcarbamothioic S-acid.
What is the SMILES notation for chlorosulfonylcarbamothioic S-acid?
The canonical SMILES for chlorosulfonylcarbamothioic S-acid is O=C(S)NS(=O)(=O)Cl.
What is the InChIKey of chlorosulfonylcarbamothioic S-acid?
The InChIKey is VBSCJYVGENJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO3S2/c2-8(5,6)3-1(4)7/h(H2,3,4,7).
What are the key properties of chlorosulfonylcarbamothioic S-acid?
chlorosulfonylcarbamothioic S-acid has a molecular weight of 175.62 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfonylcarbamothioic S-acid is sourced from PubChem (CID 19796828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).