(cyclohexylamino)carbamodithioic acid

C7H14N2S2 — CID 175385996

IUPAC(cyclohexylamino)carbamodithioic acid
SMILESS=C(S)NNC1CCCCC1
InChIInChI=1S/C7H14N2S2/c10-7(11)9-8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,9,10,11)
InChIKeyNYBZSZDKNPTNKE-UHFFFAOYSA-N
MW190.34 g/mol
LogP1.63
Rot. Bonds2

About (cyclohexylamino)carbamodithioic acid

(cyclohexylamino)carbamodithioic acid (PubChem CID 175385996) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is (cyclohexylamino)carbamodithioic acid.

Molecular Properties

Compound Name(cyclohexylamino)carbamodithioic acid
PubChem CID175385996
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name(cyclohexylamino)carbamodithioic acid
SMILESS=C(S)NNC1CCCCC1
InChIInChI=1S/C7H14N2S2/c10-7(11)9-8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,9,10,11)
InChIKeyNYBZSZDKNPTNKE-UHFFFAOYSA-N
XLogP1.63
TPSA24.06 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
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 (cyclohexylamino)carbamodithioic acid?
The IUPAC name of (cyclohexylamino)carbamodithioic acid (CID 175385996) is (cyclohexylamino)carbamodithioic acid.
What is the SMILES notation for (cyclohexylamino)carbamodithioic acid?
The canonical SMILES for (cyclohexylamino)carbamodithioic acid is S=C(S)NNC1CCCCC1.
What is the InChIKey of (cyclohexylamino)carbamodithioic acid?
The InChIKey is NYBZSZDKNPTNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c10-7(11)9-8-6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,9,10,11).
What are the key properties of (cyclohexylamino)carbamodithioic acid?
(cyclohexylamino)carbamodithioic acid has a molecular weight of 190.34 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino)carbamodithioic acid is sourced from PubChem (CID 175385996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).