(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane

C50H70N12O6S6-6 — CID 172921559

IUPAC(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane
SMILESC.C.C.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1(C)CC1)C(=S)C1(C)CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1CC1)C(=S)C1CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C19H20N4O2S2.C15H24N4O2S2.C13H20N4O2S2.3CH4/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;1-14(5-6-14)12(22)18(3)16-10(20)9-11(21)17-19(4)13(23)15(2)7-8-15;1-16(12(20)8-3-4-8)14-10(18)7-11(19)15-17(2)13(21)9-5-6-9;;;/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25);5-9H2,1-4H3,(H,16,20)(H,17,21);8-9H,3-7H2,1-2H3,(H,14,18)(H,15,19);3*1H4/p-6
InChIKeyFMYISBPQJVRBMB-UHFFFAOYSA-H
MW1127.59 g/mol
LogP4.15
Rot. Bonds18

About (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane

(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane (PubChem CID 172921559) has the molecular formula C50H70N12O6S6-6 and a molecular weight of 1127.59 g/mol. Its IUPAC name is (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane.

Molecular Properties

Compound Name(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane
PubChem CID172921559
Molecular FormulaC50H70N12O6S6-6
Molecular Weight1127.59 g/mol
Exact Mass1126.39
IUPAC Name(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane
SMILESC.C.C.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1(C)CC1)C(=S)C1(C)CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1CC1)C(=S)C1CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C19H20N4O2S2.C15H24N4O2S2.C13H20N4O2S2.3CH4/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;1-14(5-6-14)12(22)18(3)16-10(20)9-11(21)17-19(4)13(23)15(2)7-8-15;1-16(12(20)8-3-4-8)14-10(18)7-11(19)15-17(2)13(21)9-5-6-9;;;/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25);5-9H2,1-4H3,(H,16,20)(H,17,21);8-9H,3-7H2,1-2H3,(H,14,18)(H,15,19);3*1H4/p-6
InChIKeyFMYISBPQJVRBMB-UHFFFAOYSA-H
XLogP4.15
TPSA231.96 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001127.59
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane with MolForge

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Related Compounds

disodium;N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate
CID 72994509
(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate
CID 172971151
N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
CID 59280767
1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
CID 10156532
disodium;(1Z,3Z)-N,N'-di(ethanethioyl)-N,N'-dimethylpropanedihydrazonate
CID 11529840
N-[(E)-[2-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]-1,3-dithian-2-yl]methylideneamino]-N-methylbenzenecarbothioamide
CID 59280770
1-N',3-N'-bis(cyclohexanecarbothioyl)-1-N',3-N'-diphenylpropanedihydrazide
CID 10230476
N-cyclohexyl-2-phenylbut-1-en-1-imine
CID 134921734
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
CID 24937925

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane?
The IUPAC name of (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane (CID 172921559) is (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane.
What is the SMILES notation for (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane?
The canonical SMILES for (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane is C.C.C.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1(C)CC1)C(=S)C1(C)CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)C1CC1)C(=S)C1CC1.CN(/N=C(\[O-])C/C([O-])=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane?
The InChIKey is FMYISBPQJVRBMB-UHFFFAOYSA-H. The full InChI is InChI=1S/C19H20N4O2S2.C15H24N4O2S2.C13H20N4O2S2.3CH4/c1-22(18(26)14-9-5-3-6-10-14)20-16(24)13-17(25)21-23(2)19(27)15-11-7-4-8-12-15;1-14(5-6-14)12(22)18(3)16-10(20)9-11(21)17-19(4)13(23)15(2)7-8-15;1-16(12(20)8-3-4-8)14-10(18)7-11(19)15-17(2)13(21)9-5-6-9;;;/h3-12H,13H2,1-2H3,(H,20,24)(H,21,25);5-9H2,1-4H3,(H,16,20)(H,17,21);8-9H,3-7H2,1-2H3,(H,14,18)(H,15,19);3*1H4/p-6.
What are the key properties of (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane?
(1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane has a molecular weight of 1127.59 g/mol, XLogP of 4.15, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-bis(cyclopropanecarbothioyl)-N,N'-dimethylpropanedihydrazonate;(1Z,3Z)-N,N'-dimethyl-N,N'-bis(1-methylcyclopropanecarbothioyl)propanedihydrazonate;methane is sourced from PubChem (CID 172921559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).