(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate

C10H12Cl2N2S — CID 8866483

IUPAC(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2S/c1-13-10(14-2)15-6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyMVVQBYFCUOCMBZ-UHFFFAOYSA-N
MW263.19 g/mol
LogP3.43
Rot. Bonds2

About (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate

(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate (PubChem CID 8866483) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate
PubChem CID8866483
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl2N2S/c1-13-10(14-2)15-6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,14)
InChIKeyMVVQBYFCUOCMBZ-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-Dichloro-benzyl)-isothiourea hydrochloride
CID 2830968
S-(3,4-dichlorobenzyl)isothiourea
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CID 11995526
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 409779
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine;hydrochloride
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3-Chlorobenzyl 1,4,5,6-tetrahydro-2-pyrimidinyl sulfide
CID 9549733
2-{[(3-chlorophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
CID 23685
4-(4-Chlorobenzylthio)-1-methyl-1,2,3,6-tetrahydro-1,3,5-triazine
CID 2806726
N-[(3,4-dichlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 12623046
Amino[(3,4-dichlorobenzyl)sulfanyl]methaniminium chloride
CID 2731016
2-[(3,4-Dichlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
CID 2383454
6-[(4-chlorophenyl)methylsulfanyl]-3-ethyl-2,4-dihydro-1H-1,3,5-triazine
CID 2806738

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate?
The IUPAC name of (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate (CID 8866483) is (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate?
The InChIKey is MVVQBYFCUOCMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2S/c1-13-10(14-2)15-6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3,(H,13,14).
What are the key properties of (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate?
(3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate has a molecular weight of 263.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)methyl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 8866483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).