CAS
96583-92-5 Purity
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96583-92-5 Purity
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4-[(1-Methyl-1H-imidazol-2-yl)thio]aniline
CAS
96591-94-5
Catalog Number
ACM96591945
Category
Other Products
Molecular Weight
205.279440 [g/mol]
Molecular Formula
C10H11N3S
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Specification
Synonyms
4-[1-Methyl-1H-imidazol-2-yl)thio]aniline, 4-[(1-methyl-1H-imidazol-2-yl)thio]aniline, AC1LCZUL, AC1Q3YZF, Benzenamine, 4-(1-methyl-2-imidazolythio)-, SureCN5654722, CTK5H8817, MolPort-002-471-488, ZINC09738356, AKOS000215029, AG-H-95660, 4-(1-methylimidazol-2-yl)sulfanylaniline, EN300-25626, T5636974, 4-[(1-Methyl-1H-imidazol-2-yl)sulfanyl]phenylamine, 96591-94-5
IUPAC Name
4-(1-methylimidazol-2-yl)sulfanylaniline
Canonical SMILES
CN1C=CN=C1SC2=CC=C(C=C2)N
InChI Key
JOFUTRSZJZSTKG-UHFFFAOYSA-N
Boiling Point
432.8ºC at 760mmHg
Flash Point
215.5ºC
Density
1.26g/cm³
Exact Mass
205.06700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C10H11N3S.
What is the molecular weight of the compound?
The molecular weight is 205.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-(1-methylimidazol-2-yl)sulfanylaniline.
What is the InChI of the compound?
The InChI is InChI=1S/C10H11N3S/c1-13-7-6-12-10(13)14-9-4-2-8(11)3-5-9/h2-7H,11H2,1H3.
What is the InChIKey of the compound?
The InChIKey is JOFUTRSZJZSTKG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is CN1C=CN=C1SC2=CC=C(C=C2)N.
What is the CAS number of the compound?
The CAS number is 96591-94-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.7.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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