1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea

C9H14N4S — CID 134221738

IUPAC1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea
SMILESC=N/C=C\N(C)C(=S)N(C)/C=C\N=C
InChIInChI=1S/C9H14N4S/c1-10-5-7-12(3)9(14)13(4)8-6-11-2/h5-8H,1-2H2,3-4H3/b7-5-,8-6-
InChIKeyPQWBTIMWIAEILI-SFECMWDFSA-N
MW210.31 g/mol
LogP1.48
Rot. Bonds4

About 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea

1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea (PubChem CID 134221738) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea
PubChem CID134221738
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea
SMILESC=N/C=C\N(C)C(=S)N(C)/C=C\N=C
InChIInChI=1S/C9H14N4S/c1-10-5-7-12(3)9(14)13(4)8-6-11-2/h5-8H,1-2H2,3-4H3/b7-5-,8-6-
InChIKeyPQWBTIMWIAEILI-SFECMWDFSA-N
XLogP1.48
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea?
The IUPAC name of 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea (CID 134221738) is 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea.
What is the SMILES notation for 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea?
The canonical SMILES for 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea is C=N/C=C\N(C)C(=S)N(C)/C=C\N=C.
What is the InChIKey of 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea?
The InChIKey is PQWBTIMWIAEILI-SFECMWDFSA-N. The full InChI is InChI=1S/C9H14N4S/c1-10-5-7-12(3)9(14)13(4)8-6-11-2/h5-8H,1-2H2,3-4H3/b7-5-,8-6-.
What are the key properties of 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea?
1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea has a molecular weight of 210.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-bis[(Z)-2-(methylideneamino)ethenyl]thiourea is sourced from PubChem (CID 134221738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).