bis(sulfanyl)carbamoperoxoic acid

CH3NO3S2 — CID 174318284

IUPACbis(sulfanyl)carbamoperoxoic acid
SMILESO=C(OO)N(S)S
InChIInChI=1S/CH3NO3S2/c3-1(5-4)2(6)7/h4,6-7H
InChIKeyRNGZNIMATPQERQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.59
Rot. Bonds

About bis(sulfanyl)carbamoperoxoic acid

bis(sulfanyl)carbamoperoxoic acid (PubChem CID 174318284) has the molecular formula CH3NO3S2 and a molecular weight of 141.17 g/mol. Its IUPAC name is bis(sulfanyl)carbamoperoxoic acid.

Molecular Properties

Compound Namebis(sulfanyl)carbamoperoxoic acid
PubChem CID174318284
Molecular FormulaCH3NO3S2
Molecular Weight141.17 g/mol
Exact Mass140.96
IUPAC Namebis(sulfanyl)carbamoperoxoic acid
SMILESO=C(OO)N(S)S
InChIInChI=1S/CH3NO3S2/c3-1(5-4)2(6)7/h4,6-7H
InChIKeyRNGZNIMATPQERQ-UHFFFAOYSA-N
XLogP0.59
TPSA49.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

fluoro N,N-bis(sulfanyl)carbamate
CID 57174157
2-aminoethyl N,N-bis(sulfanyl)carbamate
CID 87837441
2-cyanoethenyl N,N-bis(sulfanyl)carbamate
CID 90897231
2-hydroxyprop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87690036
iron;prop-2-enyl N,N-bis(sulfanyl)carbamate
CID 87288667
3-[bis(sulfanyl)carbamoyloxy]propanoic acid
CID 57010225
bis(sulfanyl)carbamic acid;ethenyl N,N-bis(sulfanyl)carbamate;zinc
CID 174418079
2-chloroprop-2-enyl N,N-bis(sulfanyl)carbamate
CID 174397624
sodium;1-aminoethyl N,N-bis(sulfanyl)carbamate;hydride
CID 173197666
2,3,3-trichloroprop-2-enyl N,N-bis(sulfanyl)carbamate
CID 57315932
bis(sulfanyl)carbamic acid;zirconium
CID 88817474
butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134

Frequently Asked Questions

What is the IUPAC name of bis(sulfanyl)carbamoperoxoic acid?
The IUPAC name of bis(sulfanyl)carbamoperoxoic acid (CID 174318284) is bis(sulfanyl)carbamoperoxoic acid.
What is the SMILES notation for bis(sulfanyl)carbamoperoxoic acid?
The canonical SMILES for bis(sulfanyl)carbamoperoxoic acid is O=C(OO)N(S)S.
What is the InChIKey of bis(sulfanyl)carbamoperoxoic acid?
The InChIKey is RNGZNIMATPQERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO3S2/c3-1(5-4)2(6)7/h4,6-7H.
What are the key properties of bis(sulfanyl)carbamoperoxoic acid?
bis(sulfanyl)carbamoperoxoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfanyl)carbamoperoxoic acid is sourced from PubChem (CID 174318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).