1-(2-Bromophenyl)-2-thiourea

CAS
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Purity
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CAS
5391-30-0
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM5391300

Product Name

1-(2-Bromophenyl)-2-thiourea

Structure

Structure

CAS

5391-30-0

Category

Bromine Series

Synonyms

N-(2-bromophenyl)thiourea, Thiourea,(2-bromophenyl)-, Thiourea, (2-bromophenyl)-, MLS000835024, 586986_ALDRICH, 1-(2-Bromophenyl)-2-thiourea, ZINC00127107, SPB 06634, CID2735618, SMR000461640, 5391-30-0

IUPAC Name

(2-bromophenyl)thiourea

Molecular Weight

231.11

Molecular Formula

C₇H₇BrN₂S

Canonical SMILES

C1=CC=C(C(=C1)NC(=S)N)Br

InChI Key

QIGMVYSPXPXCPN-UHFFFAOYSA-N

Boiling Point

314.2ºC at 760 mmHg

Melting Point

125-129ºC(lit.)

Flash Point

143.8ºC

Density

1.728 g/cm³

Exact Mass

229.95100

Hazard Statements

T: Toxic;

H-Bond Acceptor

0

H-Bond Donor

2

Packing Group

III

Safety Description

S22-S36/37-S45

WGK Germany

3

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of (2-bromophenyl)thiourea?

The molecular formula of (2-bromophenyl)thiourea is C7H7BrN2S.

What is the molecular weight of (2-bromophenyl)thiourea?

The molecular weight of (2-bromophenyl)thiourea is 231.12 g/mol.

What is the IUPAC name of (2-bromophenyl)thiourea?

The IUPAC name of (2-bromophenyl)thiourea is (2-bromophenyl)thiourea.

What is the InChI of (2-bromophenyl)thiourea?

The InChI of (2-bromophenyl)thiourea is InChI=1S/C7H7BrN2S/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11).

What is the InChIKey of (2-bromophenyl)thiourea?

The InChIKey of (2-bromophenyl)thiourea is QIGMVYSPXPXCPN-UHFFFAOYSA-N.

What is the canonical SMILES of (2-bromophenyl)thiourea?

The canonical SMILES of (2-bromophenyl)thiourea is C1=CC=C(C(=C1)NC(=S)N)Br.

What is the CAS number of (2-bromophenyl)thiourea?

The CAS number of (2-bromophenyl)thiourea is 5391-30-0.

How many hydrogen bond donor counts does (2-bromophenyl)thiourea have?

(2-bromophenyl)thiourea has 2 hydrogen bond donor counts.

How many rotatable bond counts does (2-bromophenyl)thiourea have?

(2-bromophenyl)thiourea has 1 rotatable bond count.

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