tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane

C12H15N6PS — CID 2998775

IUPACtris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
SMILESCn1ccnc1P(=S)(c1nccn1C)c1nccn1C
InChIInChI=1S/C12H15N6PS/c1-16-7-4-13-10(16)19(20,11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3
InChIKeyOEXTZWIKVZRPMQ-UHFFFAOYSA-N
MW306.34 g/mol
LogP-0.36
Rot. Bonds3

About tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane

tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane (PubChem CID 2998775) has the molecular formula C12H15N6PS and a molecular weight of 306.34 g/mol. Its IUPAC name is tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
PubChem CID2998775
Molecular FormulaC12H15N6PS
Molecular Weight306.34 g/mol
Exact Mass306.08
IUPAC Nametris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
SMILESCn1ccnc1P(=S)(c1nccn1C)c1nccn1C
InChIInChI=1S/C12H15N6PS/c1-16-7-4-13-10(16)19(20,11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3
InChIKeyOEXTZWIKVZRPMQ-UHFFFAOYSA-N
XLogP-0.36
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-((1-methyl-1H-imidazol-2-yl)disulfanyl)-1H-imidazole
CID 12297468
Tris(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
CID 5010064
1-(1-Imidazol-1-yl-1-methyl-ethyl)imidazole
CID 3007429
1-Butyl-3-methyl-1H-imidazol-3-ium bromide (1/1)
CID 56923594
1,1'-Dimethyl-1H,1'H-2,2'-biimidazole
CID 10123778
2,4,6-Tri(1H-imidazol-1-yl)-1,3,5-triazine
CID 15506144
N,N-Diimidazoylmethane
CID 134811
2-N,N-Dimethylamino-4,6-bis(1-H-imidazol-1-yl)-1,3,5-triazine
CID 127869
Tris(imidazol-1-yl)phosphine
CID 194555
1-(2-Imidazol-1-ylethyl)imidazole
CID 5324087
1H-Imidazole, 1,1'-methylenebis[2-methyl-
CID 9855617
3,3'-Methylenebis(1-methyl-1H-imidazol-3-ium) bromide
CID 12048405

Frequently Asked Questions

What is the IUPAC name of tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane (CID 2998775) is tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane is Cn1ccnc1P(=S)(c1nccn1C)c1nccn1C.
What is the InChIKey of tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
The InChIKey is OEXTZWIKVZRPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N6PS/c1-16-7-4-13-10(16)19(20,11-14-5-8-17(11)2)12-15-6-9-18(12)3/h4-9H,1-3H3.
What are the key properties of tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane?
tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane has a molecular weight of 306.34 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 2998775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).