carbamodithioic acid;indigane

CH6InNS2 — CID 174684923

IUPACcarbamodithioic acid;indigane
SMILESNC(=S)S.[InH3]
InChIInChI=1S/CH3NS2.In.3H/c2-1(3)4;;;;/h(H3,2,3,4);;;;
InChIKeyGILWTFOPQCQSPZ-UHFFFAOYSA-N
MW211.02 g/mol
LogP-1.02
Rot. Bonds

About carbamodithioic acid;indigane

carbamodithioic acid;indigane (PubChem CID 174684923) has the molecular formula CH6InNS2 and a molecular weight of 211.02 g/mol. Its IUPAC name is carbamodithioic acid;indigane.

Molecular Properties

Compound Namecarbamodithioic acid;indigane
PubChem CID174684923
Molecular FormulaCH6InNS2
Molecular Weight211.02 g/mol
Exact Mass210.90
IUPAC Namecarbamodithioic acid;indigane
SMILESNC(=S)S.[InH3]
InChIInChI=1S/CH3NS2.In.3H/c2-1(3)4;;;;/h(H3,2,3,4);;;;
InChIKeyGILWTFOPQCQSPZ-UHFFFAOYSA-N
XLogP-1.02
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.02
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 157375712
CID 157375712
CID 172737064
CID 172737064
carbamodithioic acid;selane
CID 174428895
carbamodithioic acid;hydroiodide
CID 86734769
barium(2+);carbamodithioic acid;hydride
CID 174258632
sodium;carbamodithioic acid;hydride
CID 173103786
carbamodithioic acid;oxomolybdenum;sulfane
CID 174360414
carbamodithioic acid;propan-2-ol
CID 71434937
bis(carbamodithioic acid);molybdenum(4+);sulfane;tetracarbamodithioate
CID 172856917

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;indigane?
The IUPAC name of carbamodithioic acid;indigane (CID 174684923) is carbamodithioic acid;indigane.
What is the SMILES notation for carbamodithioic acid;indigane?
The canonical SMILES for carbamodithioic acid;indigane is NC(=S)S.[InH3].
What is the InChIKey of carbamodithioic acid;indigane?
The InChIKey is GILWTFOPQCQSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.In.3H/c2-1(3)4;;;;/h(H3,2,3,4);;;;.
What are the key properties of carbamodithioic acid;indigane?
carbamodithioic acid;indigane has a molecular weight of 211.02 g/mol, XLogP of -1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;indigane is sourced from PubChem (CID 174684923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).