carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine

C10H8Cl3N5S2 — CID 88626934

IUPACcarbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.NC(=S)S
InChIInChI=1S/C9H5Cl3N4.CH3NS2/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;2-1(3)4/h1-4H,(H,13,14,15,16);(H3,2,3,4)
InChIKeyUMPIVSVXEDNFMD-UHFFFAOYSA-N
MW368.70 g/mol
LogP3.74
Rot. Bonds2

About carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine

carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine (PubChem CID 88626934) has the molecular formula C10H8Cl3N5S2 and a molecular weight of 368.70 g/mol. Its IUPAC name is carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Namecarbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
PubChem CID88626934
Molecular FormulaC10H8Cl3N5S2
Molecular Weight368.70 g/mol
Exact Mass366.93
IUPAC Namecarbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(Nc2ccccc2Cl)n1.NC(=S)S
InChIInChI=1S/C9H5Cl3N4.CH3NS2/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;2-1(3)4/h1-4H,(H,13,14,15,16);(H3,2,3,4)
InChIKeyUMPIVSVXEDNFMD-UHFFFAOYSA-N
XLogP3.74
TPSA76.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.70
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;1,3,5-triazine-2,4,6-triamine
CID 87457442
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;piperidine
CID 22708768
2-(2-chloroanilino)benzenecarbothioamide
CID 28601867
2-butyl-1-carbamimidoylguanidine;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;hydrochloride
CID 176526392
N-(2-chlorophenyl)-1,2,4-triazin-3-amine
CID 135039645
4-chloro-N-(2-chlorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62869174
4-chloro-N-(2-chlorophenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868995
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
4-(2-chloroanilino)-3-fluorobenzenecarbothioamide
CID 43657796
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
4,6-dichloro-N-(2-methylsulfonylphenyl)-1,3,5-triazin-2-amine
CID 59284574

Frequently Asked Questions

What is the IUPAC name of carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine (CID 88626934) is carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(Nc2ccccc2Cl)n1.NC(=S)S.
What is the InChIKey of carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is UMPIVSVXEDNFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N4.CH3NS2/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9;2-1(3)4/h1-4H,(H,13,14,15,16);(H3,2,3,4).
What are the key properties of carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine?
carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 368.70 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamodithioic acid;4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 88626934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).