1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea

C6H12N6S2 — CID 6182895

IUPAC1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
SMILESCNC(=S)N/N=C\C=N/NC(=S)NC
InChIInChI=1S/C6H12N6S2/c1-7-5(13)11-9-3-4-10-12-6(14)8-2/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14)/b9-3-,10-4-
InChIKeyOQAXPRMBCFLULK-UIYSNZQUSA-N
MW232.34 g/mol
LogP-0.85
Rot. Bonds3

About 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea

1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea (PubChem CID 6182895) has the molecular formula C6H12N6S2 and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea.

Molecular Properties

Compound Name1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
PubChem CID6182895
Molecular FormulaC6H12N6S2
Molecular Weight232.34 g/mol
Exact Mass232.06
IUPAC Name1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
SMILESCNC(=S)N/N=C\C=N/NC(=S)NC
InChIInChI=1S/C6H12N6S2/c1-7-5(13)11-9-3-4-10-12-6(14)8-2/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14)/b9-3-,10-4-
InChIKeyOQAXPRMBCFLULK-UIYSNZQUSA-N
XLogP-0.85
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

copper;1-methyl-3-[2-(methylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 72672069
1-methyl-3-[(Z)-2-oxoethylideneamino]thiourea
CID 102431292
1-ethyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea
CID 24951716
1-(but-2-enylideneamino)-3-methylthiourea
CID 3644259
1-tert-butyl-3-[2-(tert-butylcarbamothioylhydrazinylidene)ethylideneamino]thiourea
CID 2725287
copper(1+);1-methyl-3-[1-(methylcarbamothioylhydrazinylidene)propan-2-ylideneamino]thiourea
CID 87570295
1,3-dimethylthiourea
CID 159246165
1-methyl-3-[(E)-[3-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl]methylideneamino]thiourea
CID 6903322
1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-methylthiourea
CID 9071920
1-methyl-3-[3-(methylcarbamothioylhydrazinylidene)butan-2-ylideneamino]thiourea
CID 6399159
1-[(E)-(4-formylphenyl)methylideneamino]-3-methylthiourea
CID 139086841
1-[(Z)-(3,5-dichlorophenyl)methylideneamino]-3-methylthiourea
CID 5381070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The IUPAC name of 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea (CID 6182895) is 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea.
What is the SMILES notation for 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The canonical SMILES for 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea is CNC(=S)N/N=C\C=N/NC(=S)NC.
What is the InChIKey of 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
The InChIKey is OQAXPRMBCFLULK-UIYSNZQUSA-N. The full InChI is InChI=1S/C6H12N6S2/c1-7-5(13)11-9-3-4-10-12-6(14)8-2/h3-4H,1-2H3,(H2,7,11,13)(H2,8,12,14)/b9-3-,10-4-.
What are the key properties of 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea?
1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea has a molecular weight of 232.34 g/mol, XLogP of -0.85, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(Z)-[(2Z)-2-(methylcarbamothioylhydrazinylidene)ethylidene]amino]thiourea is sourced from PubChem (CID 6182895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).