2H-1,3-benzodioxole-5-carbothioamide

HCID 2776126CAS 15884-65-8
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=S)c1ccc2c(c1)OCO2
InChIKey
YHXXBQMLJHUUJU-UHFFFAOYSA-N
Molecular formula
C8H7NO2S
Average molar mass
181.21 g/mol
Monoisotopic mass
181.01974946

Names & identifiers

Preferred name
2H-1,3-benzodioxole-5-carbothioamide
IUPAC
1,3-benzodioxole-5-carbothioamide
English name
1,3-Benzodioxole-5-carbothioamide
Molecular formula
C8H7NO2S
Molecular weight
181.21

Names & synonyms

2H-1,3-benzodioxole-5-carbothioamideRefChem:484092681-463-11,3-benzodioxole-5-carbothioamide15884-65-8BENZO[D][1,3]DIOXOLE-5-CARBOTHIOAMIDEMFCD026777391,3-Dioxaindane-5-carbothioamideTHIOPIPERONYLAMIDE3,4-(METHYLENEDIOXY)THIOBENZAMIDETJVOprea1_263949
Show more names
3,4-(Methylenedioxy)thiobenzamide, 97%
BENZO[1,3]DIOXOLE-5-CARBOTHIOIC ACID AMIDEorb3031424SCHEMBL3374235DTXSID00379824YHXXBQMLJHUUJU-UHFFFAOYSA-NFr12432SBB089807Benzodioxole-5-carbothioic acid amide

Database identifiers

CAS
15884-65-8
PubChem CID
2776126
DTXSID
DTXSID00379824
EC Number
681-463-1

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
76.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Melting point
183 °C · 183 °C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Upstream & downstream products

Suppliers25 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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