1,3-bis(dimethylaminomethylidene)thiourea

C7H14N4S — CID 3370715

IUPAC1,3-bis(dimethylaminomethylidene)thiourea
SMILESCN(C)C=NC(=S)N=CN(C)C
InChIInChI=1S/C7H14N4S/c1-10(2)5-8-7(12)9-6-11(3)4/h5-6H,1-4H3
InChIKeyXZJKOXKEGOLKDB-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.45
Rot. Bonds2

About 1,3-bis(dimethylaminomethylidene)thiourea

1,3-bis(dimethylaminomethylidene)thiourea (PubChem CID 3370715) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 1,3-bis(dimethylaminomethylidene)thiourea.

Molecular Properties

Compound Name1,3-bis(dimethylaminomethylidene)thiourea
PubChem CID3370715
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name1,3-bis(dimethylaminomethylidene)thiourea
SMILESCN(C)C=NC(=S)N=CN(C)C
InChIInChI=1S/C7H14N4S/c1-10(2)5-8-7(12)9-6-11(3)4/h5-6H,1-4H3
InChIKeyXZJKOXKEGOLKDB-UHFFFAOYSA-N
XLogP0.45
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dimethylaminomethylidene)thiourea?
The IUPAC name of 1,3-bis(dimethylaminomethylidene)thiourea (CID 3370715) is 1,3-bis(dimethylaminomethylidene)thiourea.
What is the SMILES notation for 1,3-bis(dimethylaminomethylidene)thiourea?
The canonical SMILES for 1,3-bis(dimethylaminomethylidene)thiourea is CN(C)C=NC(=S)N=CN(C)C.
What is the InChIKey of 1,3-bis(dimethylaminomethylidene)thiourea?
The InChIKey is XZJKOXKEGOLKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-10(2)5-8-7(12)9-6-11(3)4/h5-6H,1-4H3.
What are the key properties of 1,3-bis(dimethylaminomethylidene)thiourea?
1,3-bis(dimethylaminomethylidene)thiourea has a molecular weight of 186.28 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dimethylaminomethylidene)thiourea is sourced from PubChem (CID 3370715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).