(3-chloro-4-methoxyphenyl)sulfanylhydrazine

C7H9ClN2OS — CID 117036018

IUPAC(3-chloro-4-methoxyphenyl)sulfanylhydrazine
SMILESCOc1ccc(SNN)cc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-11-7-3-2-5(12-10-9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyBPRRHORRPSLSOE-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.82
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)sulfanylhydrazine

(3-chloro-4-methoxyphenyl)sulfanylhydrazine (PubChem CID 117036018) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)sulfanylhydrazine.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)sulfanylhydrazine
PubChem CID117036018
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name(3-chloro-4-methoxyphenyl)sulfanylhydrazine
SMILESCOc1ccc(SNN)cc1Cl
InChIInChI=1S/C7H9ClN2OS/c1-11-7-3-2-5(12-10-9)4-6(7)8/h2-4,10H,9H2,1H3
InChIKeyBPRRHORRPSLSOE-UHFFFAOYSA-N
XLogP1.82
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-3-methylphenyl)sulfanylhydrazine
CID 117036006
(3-chloro-4-methoxyphenyl)sulfanylmethanethiol
CID 117033706
4-(4-bromophenyl)sulfanyl-2-chloro-1-methoxybenzene
CID 91877375
4-(3-chloro-4-methoxyphenyl)sulfanylbutan-2-amine
CID 117032711
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-amine
CID 116853482
3-(3-chloro-4-methoxyphenyl)sulfanylpropan-1-ol
CID 117033419
2-(3-chloro-4-methoxyphenyl)sulfanyl-2-methylpropan-1-ol
CID 116852264
3-[(3-chloro-4-methoxyphenyl)sulfanylmethyl]azetidine
CID 117032119
2-chloro-4-[chloro-(4-methylsulfanylphenyl)methyl]-1-methoxybenzene
CID 79217437
3-amino-3-(3-chloro-4-methoxyphenyl)propanehydrazide
CID 116848735
4-N-(3-chloro-4-methoxyphenyl)-2-methoxybenzene-1,4-diamine
CID 55233537
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)sulfanylhydrazine?
The IUPAC name of (3-chloro-4-methoxyphenyl)sulfanylhydrazine (CID 117036018) is (3-chloro-4-methoxyphenyl)sulfanylhydrazine.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)sulfanylhydrazine?
The canonical SMILES for (3-chloro-4-methoxyphenyl)sulfanylhydrazine is COc1ccc(SNN)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)sulfanylhydrazine?
The InChIKey is BPRRHORRPSLSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-11-7-3-2-5(12-10-9)4-6(7)8/h2-4,10H,9H2,1H3.
What are the key properties of (3-chloro-4-methoxyphenyl)sulfanylhydrazine?
(3-chloro-4-methoxyphenyl)sulfanylhydrazine has a molecular weight of 204.68 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methoxyphenyl)sulfanylhydrazine is sourced from PubChem (CID 117036018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).