[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea

C10H18N6S2 — CID 3033597

IUPAC[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea
SMILESCC1(C)C(=NNC(N)=S)C(C)(C)C1=NNC(N)=S
InChIInChI=1S/C10H18N6S2/c1-9(2)5(13-15-7(11)17)10(3,4)6(9)14-16-8(12)18/h1-4H3,(H3,11,15,17)(H3,12,16,18)/b13-5-,14-6+
InChIKeyKSUFJHSFYCATLI-FUJGBLOQSA-N
MW286.43 g/mol
LogP0.43
Rot. Bonds2

About [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea

[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea (PubChem CID 3033597) has the molecular formula C10H18N6S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea.

Molecular Properties

Compound Name[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea
PubChem CID3033597
Molecular FormulaC10H18N6S2
Molecular Weight286.43 g/mol
Exact Mass286.10
IUPAC Name[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea
SMILESCC1(C)C(=NNC(N)=S)C(C)(C)C1=NNC(N)=S
InChIInChI=1S/C10H18N6S2/c1-9(2)5(13-15-7(11)17)10(3,4)6(9)14-16-8(12)18/h1-4H3,(H3,11,15,17)(H3,12,16,18)/b13-5-,14-6+
InChIKeyKSUFJHSFYCATLI-FUJGBLOQSA-N
XLogP0.43
TPSA100.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea?
The IUPAC name of [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea (CID 3033597) is [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea.
What is the SMILES notation for [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea?
The canonical SMILES for [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea is CC1(C)C(=NNC(N)=S)C(C)(C)C1=NNC(N)=S.
What is the InChIKey of [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea?
The InChIKey is KSUFJHSFYCATLI-FUJGBLOQSA-N. The full InChI is InChI=1S/C10H18N6S2/c1-9(2)5(13-15-7(11)17)10(3,4)6(9)14-16-8(12)18/h1-4H3,(H3,11,15,17)(H3,12,16,18)/b13-5-,14-6+.
What are the key properties of [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea?
[[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea has a molecular weight of 286.43 g/mol, XLogP of 0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(carbamothioylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]thiourea is sourced from PubChem (CID 3033597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).