N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide

C9H10N2OS2 — CID 23335226

IUPACN-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide
SMILESCOc1cc(NC=S)ccc1NC=S
InChIInChI=1S/C9H10N2OS2/c1-12-9-4-7(10-5-13)2-3-8(9)11-6-14/h2-6H,1H3,(H,10,13)(H,11,14)
InChIKeyIIXLVIUWQHOHTE-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.43
Rot. Bonds5

About N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide

N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide (PubChem CID 23335226) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide.

Molecular Properties

Compound NameN-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide
PubChem CID23335226
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC NameN-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide
SMILESCOc1cc(NC=S)ccc1NC=S
InChIInChI=1S/C9H10N2OS2/c1-12-9-4-7(10-5-13)2-3-8(9)11-6-14/h2-6H,1H3,(H,10,13)(H,11,14)
InChIKeyIIXLVIUWQHOHTE-UHFFFAOYSA-N
XLogP2.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)methanethioamide
CID 23047574
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
N-[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-2-methoxyphenyl]acetamide
CID 168537431
N-[4-(dimethylamino)-2-methoxyphenyl]formamide
CID 168653974
1-N-iodo-2-methoxy-4-N-phenylbenzene-1,4-diamine
CID 154558823
5-formamido-2-methoxybenzenediazonium
CID 87219285
O-methyl 3-(3-chloro-4-methoxyanilino)-2-methylprop-2-enethioate
CID 86738118
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
2-[5-(methanethioylamino)-2-methoxyphenyl]-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 89257888
(4-hydroxy-3-methoxyphenyl)thiourea
CID 57183601
N-[4-(carbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide
CID 50882114
N-fluoro-3,4-dimethoxyaniline
CID 91259644

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide?
The IUPAC name of N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide (CID 23335226) is N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide.
What is the SMILES notation for N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide?
The canonical SMILES for N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide is COc1cc(NC=S)ccc1NC=S.
What is the InChIKey of N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide?
The InChIKey is IIXLVIUWQHOHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-12-9-4-7(10-5-13)2-3-8(9)11-6-14/h2-6H,1H3,(H,10,13)(H,11,14).
What are the key properties of N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide?
N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide has a molecular weight of 226.33 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanethioylamino)-3-methoxyphenyl]methanethioamide is sourced from PubChem (CID 23335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).