CID 174656943

C4H10N2O5S6 — CID 174656943

IUPAC—
SMILESO=S(O)S(=O)(=O)O.S=C(S)NCCNC(=S)S
InChIInChI=1S/C4H8N2S4.H2O5S2/c7-3(8)5-1-2-6-4(9)10;1-6(2)7(3,4)5/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H,1,2)(H,3,4,5)
InChIKeyVMFRNYPLADRIOM-UHFFFAOYSA-N
MW358.54 g/mol
LogP-0.39
Rot. Bonds4

About CID 174656943

CID 174656943 (PubChem CID 174656943) has the molecular formula C4H10N2O5S6 and a molecular weight of 358.54 g/mol.

Molecular Properties

Compound NameCID 174656943
PubChem CID174656943
Molecular FormulaC4H10N2O5S6
Molecular Weight358.54 g/mol
Exact Mass357.89
IUPAC Name—
SMILESO=S(O)S(=O)(=O)O.S=C(S)NCCNC(=S)S
InChIInChI=1S/C4H8N2S4.H2O5S2/c7-3(8)5-1-2-6-4(9)10;1-6(2)7(3,4)5/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H,1,2)(H,3,4,5)
InChIKeyVMFRNYPLADRIOM-UHFFFAOYSA-N
XLogP-0.39
TPSA115.73 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.54
LogP ≤ 5-0.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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2-(dithiocarboxyamino)ethanesulfonic acid
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magnesium;2-(dithiocarboxyamino)ethylcarbamodithioic acid;hydride
CID 174341714
CID 174779824
CID 174779824
2-(dithiocarboxyamino)ethylcarbamodithioic acid;phosphoric acid
CID 172780597
2-(dithiocarboxyamino)ethylcarbamodithioic acid;formonitrile
CID 174889042
8-(dithiocarboxyamino)octylcarbamodithioic acid
CID 158913905
2-(dithiocarboxyamino)ethylcarbamodithioic acid;(methyldisulfanyl)methane
CID 158207882
2-(methylamino)ethylcarbamodithioic acid
CID 90890805
4-methylsulfinylbutylcarbamodithioic acid
CID 126668836
CID 157097916
CID 157097916

Frequently Asked Questions

What is the IUPAC name of CID 174656943?
The IUPAC name of CID 174656943 (CID 174656943) is not available.
What is the SMILES notation for CID 174656943?
The canonical SMILES for CID 174656943 is O=S(O)S(=O)(=O)O.S=C(S)NCCNC(=S)S.
What is the InChIKey of CID 174656943?
The InChIKey is VMFRNYPLADRIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S4.H2O5S2/c7-3(8)5-1-2-6-4(9)10;1-6(2)7(3,4)5/h1-2H2,(H2,5,7,8)(H2,6,9,10);(H,1,2)(H,3,4,5).
What are the key properties of CID 174656943?
CID 174656943 has a molecular weight of 358.54 g/mol, XLogP of -0.39, 4 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174656943 is sourced from PubChem (CID 174656943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).