(dithiocarboxyamino)carbamic acid

C2H4N2O2S2 — CID 174879193

IUPAC(dithiocarboxyamino)carbamic acid
SMILESO=C(O)NNC(=S)S
InChIInChI=1S/C2H4N2O2S2/c5-1(6)3-4-2(7)8/h3H,(H,5,6)(H2,4,7,8)
InChIKeyBPSCFTZYAJUFFR-UHFFFAOYSA-N
MW152.20 g/mol
LogP-0.03
Rot. Bonds

About (dithiocarboxyamino)carbamic acid

(dithiocarboxyamino)carbamic acid (PubChem CID 174879193) has the molecular formula C2H4N2O2S2 and a molecular weight of 152.20 g/mol. Its IUPAC name is (dithiocarboxyamino)carbamic acid.

Molecular Properties

Compound Name(dithiocarboxyamino)carbamic acid
PubChem CID174879193
Molecular FormulaC2H4N2O2S2
Molecular Weight152.20 g/mol
Exact Mass151.97
IUPAC Name(dithiocarboxyamino)carbamic acid
SMILESO=C(O)NNC(=S)S
InChIInChI=1S/C2H4N2O2S2/c5-1(6)3-4-2(7)8/h3H,(H,5,6)(H2,4,7,8)
InChIKeyBPSCFTZYAJUFFR-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (dithiocarboxyamino)carbamic acid?
The IUPAC name of (dithiocarboxyamino)carbamic acid (CID 174879193) is (dithiocarboxyamino)carbamic acid.
What is the SMILES notation for (dithiocarboxyamino)carbamic acid?
The canonical SMILES for (dithiocarboxyamino)carbamic acid is O=C(O)NNC(=S)S.
What is the InChIKey of (dithiocarboxyamino)carbamic acid?
The InChIKey is BPSCFTZYAJUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2S2/c5-1(6)3-4-2(7)8/h3H,(H,5,6)(H2,4,7,8).
What are the key properties of (dithiocarboxyamino)carbamic acid?
(dithiocarboxyamino)carbamic acid has a molecular weight of 152.20 g/mol, XLogP of -0.03, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (dithiocarboxyamino)carbamic acid is sourced from PubChem (CID 174879193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).