[(Z)-2,2-dichloroethylideneamino]thiourea

C3H5Cl2N3S — CID 6044632

IUPAC[(Z)-2,2-dichloroethylideneamino]thiourea
SMILESNC(=S)N/N=C\C(Cl)Cl
InChIInChI=1S/C3H5Cl2N3S/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1-
InChIKeyNZRVDPHJBPJHLH-XFSBKJJWSA-N
MW186.07 g/mol
LogP0.61
Rot. Bonds2

About [(Z)-2,2-dichloroethylideneamino]thiourea

[(Z)-2,2-dichloroethylideneamino]thiourea (PubChem CID 6044632) has the molecular formula C3H5Cl2N3S and a molecular weight of 186.07 g/mol. Its IUPAC name is [(Z)-2,2-dichloroethylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-2,2-dichloroethylideneamino]thiourea
PubChem CID6044632
Molecular FormulaC3H5Cl2N3S
Molecular Weight186.07 g/mol
Exact Mass184.96
IUPAC Name[(Z)-2,2-dichloroethylideneamino]thiourea
SMILESNC(=S)N/N=C\C(Cl)Cl
InChIInChI=1S/C3H5Cl2N3S/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1-
InChIKeyNZRVDPHJBPJHLH-XFSBKJJWSA-N
XLogP0.61
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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

[(E)-[(2S)-2-(methylamino)-3-oxobutylidene]amino]thiourea
CID 135189825
(2,3,3-triethylpentylideneamino)thiourea
CID 121266890
(2R,3S,4S,5S,6Z)-6-(carbamothioylhydrazinylidene)-2,3,4,5-tetrahydroxyhexanoic acid
CID 124776177
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
[(5-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168534129
ethyl 2-[(carbamothioylhydrazinylidene)methyl]hexanoate
CID 3927458
[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)heptylideneamino]thiourea
CID 3004645
[(4-chloro-2,3-difluorophenyl)methylideneamino]thiourea
CID 168534955
[(E)-2-(3-chlorophenoxy)ethylideneamino]thiourea
CID 122180878
[(3-chloro-2-fluorophenyl)methylideneamino]thiourea
CID 168511565
[(2,3,6-trifluorophenyl)methylideneamino]thiourea
CID 168534157
[(E)-2-(3-chloro-4-cyclohexylphenyl)propylideneamino]thiourea
CID 10125757

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,2-dichloroethylideneamino]thiourea?
The IUPAC name of [(Z)-2,2-dichloroethylideneamino]thiourea (CID 6044632) is [(Z)-2,2-dichloroethylideneamino]thiourea.
What is the SMILES notation for [(Z)-2,2-dichloroethylideneamino]thiourea?
The canonical SMILES for [(Z)-2,2-dichloroethylideneamino]thiourea is NC(=S)N/N=C\C(Cl)Cl.
What is the InChIKey of [(Z)-2,2-dichloroethylideneamino]thiourea?
The InChIKey is NZRVDPHJBPJHLH-XFSBKJJWSA-N. The full InChI is InChI=1S/C3H5Cl2N3S/c4-2(5)1-7-8-3(6)9/h1-2H,(H3,6,8,9)/b7-1-.
What are the key properties of [(Z)-2,2-dichloroethylideneamino]thiourea?
[(Z)-2,2-dichloroethylideneamino]thiourea has a molecular weight of 186.07 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,2-dichloroethylideneamino]thiourea is sourced from PubChem (CID 6044632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).