1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine

C9H9Cl2NS — CID 117035851

IUPAC1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine
SMILESNC1(Sc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C9H9Cl2NS/c10-7-2-1-6(5-8(7)11)13-9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyZPDHVZJGZBABKQ-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.53
Rot. Bonds2

About 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine

1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine (PubChem CID 117035851) has the molecular formula C9H9Cl2NS and a molecular weight of 234.15 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine
PubChem CID117035851
Molecular FormulaC9H9Cl2NS
Molecular Weight234.15 g/mol
Exact Mass232.98
IUPAC Name1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine
SMILESNC1(Sc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C9H9Cl2NS/c10-7-2-1-6(5-8(7)11)13-9(12)3-4-9/h1-2,5H,3-4,12H2
InChIKeyZPDHVZJGZBABKQ-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-4-(disulfanyl)benzene
CID 117033810
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)cyclopropan-1-amine
CID 117035846
(3,4-dichlorophenyl) thiohypochlorite
CID 12878540
1-(4-fluorophenyl)sulfanylcyclopropan-1-amine
CID 117035838
1-(3,4-dimethoxyphenyl)sulfanylcyclopropan-1-amine
CID 117035855
1,2-dichloro-4-[(3,4-dichlorophenyl)sulfanylmethylsulfanyl]benzene
CID 517877
[1-(4-chloro-3-methylphenyl)sulfanylcyclopropyl]methanamine
CID 117034858
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1,2-dichloro-4-propan-2-ylsulfanylbenzene
CID 59882028
4-(3,4-dichlorophenyl)piperidin-4-amine
CID 118021104
2-amino-2-(3,4-dichlorophenyl)sulfanylacetic acid
CID 117034590

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine (CID 117035851) is 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine is NC1(Sc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine?
The InChIKey is ZPDHVZJGZBABKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NS/c10-7-2-1-6(5-8(7)11)13-9(12)3-4-9/h1-2,5H,3-4,12H2.
What are the key properties of 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine?
1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine has a molecular weight of 234.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)sulfanylcyclopropan-1-amine is sourced from PubChem (CID 117035851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).