ethyl N-ethylcarbamodithioate;indigane

C5H14InNS2 — CID 175125102

IUPACethyl N-ethylcarbamodithioate;indigane
SMILESCCNC(=S)SCC.[InH3]
InChIInChI=1S/C5H11NS2.In.3H/c1-3-6-5(7)8-4-2;;;;/h3-4H2,1-2H3,(H,6,7);;;;
InChIKeyLZYUKBROOBQNOW-UHFFFAOYSA-N
MW267.13 g/mol
LogP0.45
Rot. Bonds2

About ethyl N-ethylcarbamodithioate;indigane

ethyl N-ethylcarbamodithioate;indigane (PubChem CID 175125102) has the molecular formula C5H14InNS2 and a molecular weight of 267.13 g/mol. Its IUPAC name is ethyl N-ethylcarbamodithioate;indigane.

Molecular Properties

Compound Nameethyl N-ethylcarbamodithioate;indigane
PubChem CID175125102
Molecular FormulaC5H14InNS2
Molecular Weight267.13 g/mol
Exact Mass266.96
IUPAC Nameethyl N-ethylcarbamodithioate;indigane
SMILESCCNC(=S)SCC.[InH3]
InChIInChI=1S/C5H11NS2.In.3H/c1-3-6-5(7)8-4-2;;;;/h3-4H2,1-2H3,(H,6,7);;;;
InChIKeyLZYUKBROOBQNOW-UHFFFAOYSA-N
XLogP0.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;methyl N-[2-(ethylsulfanylcarbothioylamino)ethyl]carbamodithioate;methyl N-[2-(methylsulfanylcarbothioylamino)ethyl]carbamodithioate
CID 71750713
2-chloroprop-2-enyl N-ethylcarbamodithioate
CID 141001184
[4-(ethylcarbamothioylsulfanylmethyl)phenyl]methyl N-ethylcarbamodithioate
CID 19910001
methylsulfanyl N-ethylcarbamodithioate
CID 19838567
ethyl N-[2-(propanoylamino)propyl]carbamodithioate
CID 59072300
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl N-ethylcarbamodithioate
CID 101002617
ethyl N-(pyridin-1-ium-3-ylmethyl)carbamodithioate
CID 4745837
sodium;ethyl N-cyclohexylcarbamodithioate;hydride
CID 174424467
ethyl N-(2-cyanoacetyl)carbamodithioate
CID 130016481
ethylcarbamodithioic acid;hydrate
CID 88596590
azane;ethylthiourea
CID 175294002
propanethioyl propanedithioate
CID 12761861

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethylcarbamodithioate;indigane?
The IUPAC name of ethyl N-ethylcarbamodithioate;indigane (CID 175125102) is ethyl N-ethylcarbamodithioate;indigane.
What is the SMILES notation for ethyl N-ethylcarbamodithioate;indigane?
The canonical SMILES for ethyl N-ethylcarbamodithioate;indigane is CCNC(=S)SCC.[InH3].
What is the InChIKey of ethyl N-ethylcarbamodithioate;indigane?
The InChIKey is LZYUKBROOBQNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS2.In.3H/c1-3-6-5(7)8-4-2;;;;/h3-4H2,1-2H3,(H,6,7);;;;.
What are the key properties of ethyl N-ethylcarbamodithioate;indigane?
ethyl N-ethylcarbamodithioate;indigane has a molecular weight of 267.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylcarbamodithioate;indigane is sourced from PubChem (CID 175125102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).