carbamodithioic acid;cobalt

CH3CoNS2 — CID 162211003

IUPACcarbamodithioic acid;cobalt
SMILESNC(=S)S.[Co]
InChIInChI=1S/CH3NS2.Co/c2-1(3)4;/h(H3,2,3,4);
InChIKeyZSVPEEACBYLVIG-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.16
Rot. Bonds

About carbamodithioic acid;cobalt

carbamodithioic acid;cobalt (PubChem CID 162211003) has the molecular formula CH3CoNS2 and a molecular weight of 152.11 g/mol. Its IUPAC name is carbamodithioic acid;cobalt.

Molecular Properties

Compound Namecarbamodithioic acid;cobalt
PubChem CID162211003
Molecular FormulaCH3CoNS2
Molecular Weight152.11 g/mol
Exact Mass151.90
IUPAC Namecarbamodithioic acid;cobalt
SMILESNC(=S)S.[Co]
InChIInChI=1S/CH3NS2.Co/c2-1(3)4;/h(H3,2,3,4);
InChIKeyZSVPEEACBYLVIG-UHFFFAOYSA-N
XLogP0.16
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;cobalt?
The IUPAC name of carbamodithioic acid;cobalt (CID 162211003) is carbamodithioic acid;cobalt.
What is the SMILES notation for carbamodithioic acid;cobalt?
The canonical SMILES for carbamodithioic acid;cobalt is NC(=S)S.[Co].
What is the InChIKey of carbamodithioic acid;cobalt?
The InChIKey is ZSVPEEACBYLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.Co/c2-1(3)4;/h(H3,2,3,4);.
What are the key properties of carbamodithioic acid;cobalt?
carbamodithioic acid;cobalt has a molecular weight of 152.11 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;cobalt is sourced from PubChem (CID 162211003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).