CID 140773790

C7H12NS2 — CID 140773790

IUPAC—
SMILES[CH2]SC(=S)N1CCCCC1
InChIInChI=1S/C7H12NS2/c1-10-7(9)8-5-3-2-4-6-8/h1-6H2
InChIKeyHRTIULUSMRTPNL-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.28
Rot. Bonds

About CID 140773790

CID 140773790 (PubChem CID 140773790) has the molecular formula C7H12NS2 and a molecular weight of 174.31 g/mol.

Molecular Properties

Compound NameCID 140773790
PubChem CID140773790
Molecular FormulaC7H12NS2
Molecular Weight174.31 g/mol
Exact Mass174.04
IUPAC Name—
SMILES[CH2]SC(=S)N1CCCCC1
InChIInChI=1S/C7H12NS2/c1-10-7(9)8-5-3-2-4-6-8/h1-6H2
InChIKeyHRTIULUSMRTPNL-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-(pyrrolidine-1-carbothioyldisulfanyl)decylsulfanyl pyrrolidine-1-carbodithioate
CID 54460594
ethyl pyrrolidine-1-carbodithioate
CID 14287987
tert-butylsulfanyl piperidine-1-carbodithioate
CID 581801
[(E)-4-(azepane-1-carbothioyldisulfanyl)but-2-enyl]sulfanyl azepane-1-carbodithioate
CID 87611237
[iodo(pyrrolidine-1-carbothioylsulfanyl)bismuthanyl] pyrrolidine-1-carbodithioate
CID 6329119
carbamothioylsulfanyl pyrrolidine-1-carbodithioate
CID 10376943
[3,5-bis(piperidine-1-carbothioyldisulfanyl)phenyl]sulfanyl piperidine-1-carbodithioate
CID 54513679
cyanomethyl piperidine-1-carbodithioate
CID 14788666
1-piperidin-1-ylprop-2-ene-1-thione
CID 167111795
(2-piperidin-1-yl-2-sulfanylideneethanethioyl) 2-piperidin-1-yl-2-sulfanylideneethanedithioate
CID 54534982
tricyclohexylstannyl pyrrolidine-1-carbodithioate
CID 11605972
acetamido piperidine-1-carbodithioate
CID 15152681

Frequently Asked Questions

What is the IUPAC name of CID 140773790?
The IUPAC name of CID 140773790 (CID 140773790) is not available.
What is the SMILES notation for CID 140773790?
The canonical SMILES for CID 140773790 is [CH2]SC(=S)N1CCCCC1.
What is the InChIKey of CID 140773790?
The InChIKey is HRTIULUSMRTPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NS2/c1-10-7(9)8-5-3-2-4-6-8/h1-6H2.
What are the key properties of CID 140773790?
CID 140773790 has a molecular weight of 174.31 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140773790 is sourced from PubChem (CID 140773790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).