3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea

C9H18N6S2 — CID 6411976

IUPAC3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
SMILESCC(/C=N\NC(=S)N(C)C)=N/NC(=S)N(C)C
InChIInChI=1S/C9H18N6S2/c1-7(11-13-9(17)15(4)5)6-10-12-8(16)14(2)3/h6H,1-5H3,(H,12,16)(H,13,17)/b10-6-,11-7-
InChIKeyBFPQXBXMEBQILW-SQXCDDPUSA-N
MW274.42 g/mol
LogP0.22
Rot. Bonds3

About 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea

3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea (PubChem CID 6411976) has the molecular formula C9H18N6S2 and a molecular weight of 274.42 g/mol. Its IUPAC name is 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea.

Molecular Properties

Compound Name3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
PubChem CID6411976
Molecular FormulaC9H18N6S2
Molecular Weight274.42 g/mol
Exact Mass274.10
IUPAC Name3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea
SMILESCC(/C=N\NC(=S)N(C)C)=N/NC(=S)N(C)C
InChIInChI=1S/C9H18N6S2/c1-7(11-13-9(17)15(4)5)6-10-12-8(16)14(2)3/h6H,1-5H3,(H,12,16)(H,13,17)/b10-6-,11-7-
InChIKeyBFPQXBXMEBQILW-SQXCDDPUSA-N
XLogP0.22
TPSA55.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea?
The IUPAC name of 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea (CID 6411976) is 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea.
What is the SMILES notation for 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea?
The canonical SMILES for 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea is CC(/C=N\NC(=S)N(C)C)=N/NC(=S)N(C)C.
What is the InChIKey of 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea?
The InChIKey is BFPQXBXMEBQILW-SQXCDDPUSA-N. The full InChI is InChI=1S/C9H18N6S2/c1-7(11-13-9(17)15(4)5)6-10-12-8(16)14(2)3/h6H,1-5H3,(H,12,16)(H,13,17)/b10-6-,11-7-.
What are the key properties of 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea?
3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea has a molecular weight of 274.42 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(1Z)-1-(dimethylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]-1,1-dimethylthiourea is sourced from PubChem (CID 6411976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).