molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione

C3H3MoNS3 — CID 162006212

IUPACmolybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1.[Mo]
InChIInChI=1S/C3H3NS3.Mo/c5-2-1-7-3(6)4-2;/h1,5H,(H,4,6);
InChIKeyYSWHTEMMPZXPOC-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.09
Rot. Bonds

About molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione

molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione (PubChem CID 162006212) has the molecular formula C3H3MoNS3 and a molecular weight of 245.21 g/mol. Its IUPAC name is molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione.

Molecular Properties

Compound Namemolybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione
PubChem CID162006212
Molecular FormulaC3H3MoNS3
Molecular Weight245.21 g/mol
Exact Mass246.85
IUPAC Namemolybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione
SMILESS=c1[nH]c(S)cs1.[Mo]
InChIInChI=1S/C3H3NS3.Mo/c5-2-1-7-3(6)4-2;/h1,5H,(H,4,6);
InChIKeyYSWHTEMMPZXPOC-UHFFFAOYSA-N
XLogP2.09
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione?
The IUPAC name of molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione (CID 162006212) is molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione.
What is the SMILES notation for molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione?
The canonical SMILES for molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione is S=c1[nH]c(S)cs1.[Mo].
What is the InChIKey of molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione?
The InChIKey is YSWHTEMMPZXPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NS3.Mo/c5-2-1-7-3(6)4-2;/h1,5H,(H,4,6);.
What are the key properties of molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione?
molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione has a molecular weight of 245.21 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;4-sulfanyl-3H-1,3-thiazole-2-thione is sourced from PubChem (CID 162006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).